2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C32H40N8O — CID 176889988

IUPAC2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1cccc2cccc(N3CCc4c(nc(OCC5(CN(C)C)CC5)nc4NC4CC(n5ccnn5)C4)C3)c12
InChIInChI=1S/C32H40N8O/c1-4-22-7-5-8-23-9-6-10-28(29(22)23)39-15-11-26-27(19-39)35-31(41-21-32(12-13-32)20-38(2)3)36-30(26)34-24-17-25(18-24)40-16-14-33-37-40/h5-10,14,16,24-25H,4,11-13,15,17-21H2,1-3H3,(H,34,35,36)
InChIKeyLMRAZQBKQCOOKN-UHFFFAOYSA-N
MW552.73 g/mol
LogP4.88
Rot. Bonds10

About 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 176889988) has the molecular formula C32H40N8O and a molecular weight of 552.73 g/mol. Its IUPAC name is 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID176889988
Molecular FormulaC32H40N8O
Molecular Weight552.73 g/mol
Exact Mass552.33
IUPAC Name2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1cccc2cccc(N3CCc4c(nc(OCC5(CN(C)C)CC5)nc4NC4CC(n5ccnn5)C4)C3)c12
InChIInChI=1S/C32H40N8O/c1-4-22-7-5-8-23-9-6-10-28(29(22)23)39-15-11-26-27(19-39)35-31(41-21-32(12-13-32)20-38(2)3)36-30(26)34-24-17-25(18-24)40-16-14-33-37-40/h5-10,14,16,24-25H,4,11-13,15,17-21H2,1-3H3,(H,34,35,36)
InChIKeyLMRAZQBKQCOOKN-UHFFFAOYSA-N
XLogP4.88
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

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
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
2-[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]amino]ethylamino]pyridine-3-carbonitrile
CID 164799012
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
1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one
CID 165174292
1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-yn-1-one;sulfane
CID 167691460
7-(8-ethylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627755
[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
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
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
1-[4-[2-[[1-(diethylaminomethyl)cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 155794075
(2S)-2-(cyanomethyl)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 175098238

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 176889988) is 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CCc1cccc2cccc(N3CCc4c(nc(OCC5(CN(C)C)CC5)nc4NC4CC(n5ccnn5)C4)C3)c12.
What is the InChIKey of 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LMRAZQBKQCOOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N8O/c1-4-22-7-5-8-23-9-6-10-28(29(22)23)39-15-11-26-27(19-39)35-31(41-21-32(12-13-32)20-38(2)3)36-30(26)34-24-17-25(18-24)40-16-14-33-37-40/h5-10,14,16,24-25H,4,11-13,15,17-21H2,1-3H3,(H,34,35,36).
What are the key properties of 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 552.73 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethylnaphthalen-1-yl)-N-[3-(triazol-1-yl)cyclobutyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 176889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).