8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

C22H27N7O — CID 167049862

IUPAC8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1nc2c(cc1Nc1ncc3ccnc(NC4CCCC4)c3n1)CN(C)CC2
InChIInChI=1S/C22H27N7O/c1-29-10-8-17-15(13-29)11-18(21(26-17)30-2)27-22-24-12-14-7-9-23-20(19(14)28-22)25-16-5-3-4-6-16/h7,9,11-12,16H,3-6,8,10,13H2,1-2H3,(H,23,25)(H,24,27,28)
InChIKeySDVYHSVTRQBLJU-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.51
Rot. Bonds5

About 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 167049862) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID167049862
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1nc2c(cc1Nc1ncc3ccnc(NC4CCCC4)c3n1)CN(C)CC2
InChIInChI=1S/C22H27N7O/c1-29-10-8-17-15(13-29)11-18(21(26-17)30-2)27-22-24-12-14-7-9-23-20(19(14)28-22)25-16-5-3-4-6-16/h7,9,11-12,16H,3-6,8,10,13H2,1-2H3,(H,23,25)(H,24,27,28)
InChIKeySDVYHSVTRQBLJU-UHFFFAOYSA-N
XLogP3.51
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Related Compounds

2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
CID 163272413
1-[(2S)-2-[[6-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 165172003
2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 167216952
8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
CID 163272407
3-[[5-chloro-4-(2-dimethylphosphanyloxy-4-fluorosulfonyloxyanilino)pyrimidin-2-yl]amino]-2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 170078380
5-chloro-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 178043944
3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one
CID 165400728
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 163291420
3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167049791
4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
CID 163290805
6-cyclobutyloxy-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)pyridine-3-sulfonamide
CID 130246088
6-methoxy-2-methyl-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171835

Frequently Asked Questions

What is the IUPAC name of 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (CID 167049862) is 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is COc1nc2c(cc1Nc1ncc3ccnc(NC4CCCC4)c3n1)CN(C)CC2.
What is the InChIKey of 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is SDVYHSVTRQBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-29-10-8-17-15(13-29)11-18(21(26-17)30-2)27-22-24-12-14-7-9-23-20(19(14)28-22)25-16-5-3-4-6-16/h7,9,11-12,16H,3-6,8,10,13H2,1-2H3,(H,23,25)(H,24,27,28).
What are the key properties of 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 405.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 167049862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).