1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C135H169N23O9 — CID 165097196

IUPAC1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N(C)CC4(O)CC4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC(O)C(O)C(O)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ccn(C)n5)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ccno5)C4)C3)c12
InChIInChI=1S/C36H45N7O.C35H42N6O2.C32H41N5O4.C32H41N5O2/c1-3-26-9-4-10-27-11-5-13-32(33(26)27)41-22-14-29-31(24-41)37-35(44-25-36-16-7-19-43(36)20-8-17-36)38-34(29)42-18-6-12-28(23-42)30-15-21-40(2)39-30;1-2-25-8-3-9-26-10-4-12-30(32(25)26)39-21-14-28-29(23-39)37-34(42-24-35-15-6-19-41(35)20-7-16-35)38-33(28)40-18-5-11-27(22-40)31-13-17-36-43-31;1-2-21-7-3-8-22-9-4-10-25(28(21)22)35-16-11-23-24(17-35)33-31(41-20-32-12-5-14-37(32)15-6-13-32)34-30(23)36-18-26(38)29(40)27(39)19-36;1-3-23-8-4-9-24-10-5-11-27(28(23)24)36-19-12-25-26(20-36)33-30(34-29(25)35(2)21-32(38)15-16-32)39-22-31-13-6-17-37(31)18-7-14-31/h4-5,9-11,13,15,21,28H,3,6-8,12,14,16-20,22-25H2,1-2H3;3-4,8-10,12-13,17,27H,2,5-7,11,14-16,18-24H2,1H3;3-4,7-10,26-27,29,38-40H,2,5-6,11-20H2,1H3;4-5,8-11,38H,3,6-7,12-22H2,1-2H3
InChIKeyXRZMISNNDXPYFE-UHFFFAOYSA-N
MW2257.99 g/mol
LogP19.40
Rot. Bonds28

About 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 165097196) has the molecular formula C135H169N23O9 and a molecular weight of 2257.99 g/mol. Its IUPAC name is 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID165097196
Molecular FormulaC135H169N23O9
Molecular Weight2257.99 g/mol
Exact Mass2256.35
IUPAC Name1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N(C)CC4(O)CC4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC(O)C(O)C(O)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ccn(C)n5)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ccno5)C4)C3)c12
InChIInChI=1S/C36H45N7O.C35H42N6O2.C32H41N5O4.C32H41N5O2/c1-3-26-9-4-10-27-11-5-13-32(33(26)27)41-22-14-29-31(24-41)37-35(44-25-36-16-7-19-43(36)20-8-17-36)38-34(29)42-18-6-12-28(23-42)30-15-21-40(2)39-30;1-2-25-8-3-9-26-10-4-12-30(32(25)26)39-21-14-28-29(23-39)37-34(42-24-35-15-6-19-41(35)20-7-16-35)38-33(28)40-18-5-11-27(22-40)31-13-17-36-43-31;1-2-21-7-3-8-22-9-4-10-25(28(21)22)35-16-11-23-24(17-35)33-31(41-20-32-12-5-14-37(32)15-6-13-32)34-30(23)36-18-26(38)29(40)27(39)19-36;1-3-23-8-4-9-24-10-5-11-27(28(23)24)36-19-12-25-26(20-36)33-30(34-29(25)35(2)21-32(38)15-16-32)39-22-31-13-6-17-37(31)18-7-14-31/h4-5,9-11,13,15,21,28H,3,6-8,12,14,16-20,22-25H2,1-2H3;3-4,8-10,12-13,17,27H,2,5-7,11,14-16,18-24H2,1H3;3-4,7-10,26-27,29,38-40H,2,5-6,11-20H2,1H3;4-5,8-11,38H,3,6-7,12-22H2,1-2H3
InChIKeyXRZMISNNDXPYFE-UHFFFAOYSA-N
XLogP19.40
TPSA303.69 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002257.99
LogP ≤ 519.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

3-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 164798928
3-[[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]amino]propane-1-sulfinic acid
CID 164798927
6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol
CID 164799155
[5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanol
CID 164798920
5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine
CID 164798886
2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 164964565
CID 163223484
CID 163223484
7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 164798898
2-(cyanomethyl)-4-[7-(8-ethylnaphthalen-1-yl)-2-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 175575334
4-[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 164798868
7-(8-bromonaphthalen-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 165124293
(E)-1-[3-[[[7-(8-chloronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]azetidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 175664141

Frequently Asked Questions

What is the IUPAC name of 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 165097196) is 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N(C)CC4(O)CC4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC(O)C(O)C(O)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ccn(C)n5)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ccno5)C4)C3)c12.
What is the InChIKey of 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is XRZMISNNDXPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N7O.C35H42N6O2.C32H41N5O4.C32H41N5O2/c1-3-26-9-4-10-27-11-5-13-32(33(26)27)41-22-14-29-31(24-41)37-35(44-25-36-16-7-19-43(36)20-8-17-36)38-34(29)42-18-6-12-28(23-42)30-15-21-40(2)39-30;1-2-25-8-3-9-26-10-4-12-30(32(25)26)39-21-14-28-29(23-39)37-34(42-24-35-15-6-19-41(35)20-7-16-35)38-33(28)40-18-5-11-27(22-40)31-13-17-36-43-31;1-2-21-7-3-8-22-9-4-10-25(28(21)22)35-16-11-23-24(17-35)33-31(41-20-32-12-5-14-37(32)15-6-13-32)34-30(23)36-18-26(38)29(40)27(39)19-36;1-3-23-8-4-9-24-10-5-11-27(28(23)24)36-19-12-25-26(20-36)33-30(34-29(25)35(2)21-32(38)15-16-32)39-22-31-13-6-17-37(31)18-7-14-31/h4-5,9-11,13,15,21,28H,3,6-8,12,14,16-20,22-25H2,1-2H3;3-4,8-10,12-13,17,27H,2,5-7,11,14-16,18-24H2,1H3;3-4,7-10,26-27,29,38-40H,2,5-6,11-20H2,1H3;4-5,8-11,38H,3,6-7,12-22H2,1-2H3.
What are the key properties of 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 2257.99 g/mol, XLogP of 19.40, 28 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]cyclopropan-1-ol;1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4,5-triol;5-[1-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]-1,2-oxazole;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 165097196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).