4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine

C32H46N6O2 — CID 176703831

IUPAC4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine
SMILESCCCc1ccccc1C1Cc2nc(OCC3(CN4CCOCC4)CC3)nc(N3CC4CC[C@H](C3)N4)c2CN1C
InChIInChI=1S/C32H46N6O2/c1-3-6-23-7-4-5-8-26(23)29-17-28-27(20-36(29)2)30(38-18-24-9-10-25(19-38)33-24)35-31(34-28)40-22-32(11-12-32)21-37-13-15-39-16-14-37/h4-5,7-8,24-25,29,33H,3,6,9-22H2,1-2H3/t24-,25?,29?/m1/s1
InChIKeyXSBJKXWUVAXFCZ-XNORXSBBSA-N
MW546.76 g/mol
LogP3.59
Rot. Bonds9

About 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine

4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine (PubChem CID 176703831) has the molecular formula C32H46N6O2 and a molecular weight of 546.76 g/mol. Its IUPAC name is 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine
PubChem CID176703831
Molecular FormulaC32H46N6O2
Molecular Weight546.76 g/mol
Exact Mass546.37
IUPAC Name4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine
SMILESCCCc1ccccc1C1Cc2nc(OCC3(CN4CCOCC4)CC3)nc(N3CC4CC[C@H](C3)N4)c2CN1C
InChIInChI=1S/C32H46N6O2/c1-3-6-23-7-4-5-8-26(23)29-17-28-27(20-36(29)2)30(38-18-24-9-10-25(19-38)33-24)35-31(34-28)40-22-32(11-12-32)21-37-13-15-39-16-14-37/h4-5,7-8,24-25,29,33H,3,6,9-22H2,1-2H3/t24-,25?,29?/m1/s1
InChIKeyXSBJKXWUVAXFCZ-XNORXSBBSA-N
XLogP3.59
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine with MolForge

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Related Compounds

3-chloro-N,N-dimethyl-5-[6-methyl-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 176704125
4-(1,4-diazepan-1-yl)-7-(2-ethylphenyl)-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 176704368
N,N'-diamino-3-chloro-5-[2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
CID 176704393
3-[3-chloro-5-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 176703869
[(3R,8R)-8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate
CID 170376057
9-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-2,3-dihydro-1H-cyclopenta[a]naphthalen-7-ol
CID 171477330
2-amino-1'-[5-cyano-6-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrimidin-4-yl]spiro[5,6-dihydrocyclopenta[b]thiophene-4,3'-azetidine]-3-carbonitrile
CID 170601454
(E)-N,N',2-triamino-3-chloro-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enimidamide
CID 176703916
4-[[1-[[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoro-1,3-benzothiazol-4-yl)quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine
CID 171769939
4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine
CID 175794891
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-methyl-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrido[3,2-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
CID 168912259
(Z)-2-amino-3-[1-[2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(5-hydroxy-2-propylphenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylprop-2-enamide
CID 176704267

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine?
The IUPAC name of 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine (CID 176703831) is 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine is CCCc1ccccc1C1Cc2nc(OCC3(CN4CCOCC4)CC3)nc(N3CC4CC[C@H](C3)N4)c2CN1C.
What is the InChIKey of 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine?
The InChIKey is XSBJKXWUVAXFCZ-XNORXSBBSA-N. The full InChI is InChI=1S/C32H46N6O2/c1-3-6-23-7-4-5-8-26(23)29-17-28-27(20-36(29)2)30(38-18-24-9-10-25(19-38)33-24)35-31(34-28)40-22-32(11-12-32)21-37-13-15-39-16-14-37/h4-5,7-8,24-25,29,33H,3,6,9-22H2,1-2H3/t24-,25?,29?/m1/s1.
What are the key properties of 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine?
4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine has a molecular weight of 546.76 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[4-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]morpholine is sourced from PubChem (CID 176703831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).