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

C24H21F2N7O2 — CID 169231482

IUPAC6,6-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
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C12CNCC1C2(F)F
InChIInChI=1S/C24H21F2N7O2/c1-33-10-14(18(32-33)13-6-4-3-5-7-13)19-20-15(28-12-29-19)8-16(35-2)21(30-20)31-22(34)23-11-27-9-17(23)24(23,25)26/h3-8,10,12,17,27H,9,11H2,1-2H3,(H,30,31,34)
InChIKeyMJRHRUHUQKOLLH-UHFFFAOYSA-N
MW477.48 g/mol
LogP2.89
Rot. Bonds5

About 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

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 (PubChem CID 169231482) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6-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
PubChem CID169231482
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name6,6-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
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C12CNCC1C2(F)F
InChIInChI=1S/C24H21F2N7O2/c1-33-10-14(18(32-33)13-6-4-3-5-7-13)19-20-15(28-12-29-19)8-16(35-2)21(30-20)31-22(34)23-11-27-9-17(23)24(23,25)26/h3-8,10,12,17,27H,9,11H2,1-2H3,(H,30,31,34)
InChIKeyMJRHRUHUQKOLLH-UHFFFAOYSA-N
XLogP2.89
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(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
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
(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]-2-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176837226
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-4-(trifluoromethyl)oxane-4-carboxamide
CID 169231024
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
N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide
CID 169231877
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
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-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231379
N-[4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 176837210

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C12CNCC1C2(F)F.
What is the InChIKey of 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?
The InChIKey is MJRHRUHUQKOLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c1-33-10-14(18(32-33)13-6-4-3-5-7-13)19-20-15(28-12-29-19)8-16(35-2)21(30-20)31-22(34)23-11-27-9-17(23)24(23,25)26/h3-8,10,12,17,27H,9,11H2,1-2H3,(H,30,31,34).
What are the key properties of 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?
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 has a molecular weight of 477.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).