N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C24H23N7O2 — CID 169231987

IUPACN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C1CC2CC2N1
InChIInChI=1S/C24H23N7O2/c1-31-11-15(20(30-31)13-6-4-3-5-7-13)21-22-17(25-12-26-21)10-19(33-2)23(28-22)29-24(32)18-9-14-8-16(14)27-18/h3-7,10-12,14,16,18,27H,8-9H2,1-2H3,(H,28,29,32)
InChIKeyWJZLWDRIBLQKNY-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.79
Rot. Bonds5

About N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 169231987) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID169231987
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C1CC2CC2N1
InChIInChI=1S/C24H23N7O2/c1-31-11-15(20(30-31)13-6-4-3-5-7-13)21-22-17(25-12-26-21)10-19(33-2)23(28-22)29-24(32)18-9-14-8-16(14)27-18/h3-7,10-12,14,16,18,27H,8-9H2,1-2H3,(H,28,29,32)
InChIKeyWJZLWDRIBLQKNY-UHFFFAOYSA-N
XLogP2.79
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176837226
tert-butyl (1R,3S,5R)-3-[[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 169231159
6,6-difluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231482
3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1-methylpyrrolidine-3-carboxamide
CID 169231937
N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide
CID 169231877
(1R,5S)-6,6-difluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231862
(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231868
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 170163813
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-5-methyl-1-(trifluoromethyl)pyrazole-4-carboxamide
CID 169231206
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-4-(trifluoromethyl)oxane-4-carboxamide
CID 169231024
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 169231987) is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C1CC2CC2N1.
What is the InChIKey of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is WJZLWDRIBLQKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-31-11-15(20(30-31)13-6-4-3-5-7-13)21-22-17(25-12-26-21)10-19(33-2)23(28-22)29-24(32)18-9-14-8-16(14)27-18/h3-7,10-12,14,16,18,27H,8-9H2,1-2H3,(H,28,29,32).
What are the key properties of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 169231987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).