N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide

C22H19FN6O2 — CID 169231877

IUPACN-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2nc1NC(=O)C1CC1
InChIInChI=1S/C22H19FN6O2/c1-29-10-14(18(28-29)13-5-3-4-6-15(13)23)19-20-16(24-11-25-19)9-17(31-2)21(26-20)27-22(30)12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,26,27,30)
InChIKeyCEIYISYKECGCRZ-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.59
Rot. Bonds5

About N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide

N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide (PubChem CID 169231877) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide
PubChem CID169231877
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC NameN-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2nc1NC(=O)C1CC1
InChIInChI=1S/C22H19FN6O2/c1-29-10-14(18(28-29)13-5-3-4-6-15(13)23)19-20-16(24-11-25-19)9-17(31-2)21(26-20)27-22(30)12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,26,27,30)
InChIKeyCEIYISYKECGCRZ-UHFFFAOYSA-N
XLogP3.59
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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-(2,6-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
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
(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
N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231222
(1R,5R)-N-[7-ethoxy-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169230944
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
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
(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
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
CID 169231230
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide (CID 169231877) is N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2nc1NC(=O)C1CC1.
What is the InChIKey of N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide?
The InChIKey is CEIYISYKECGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-29-10-14(18(28-29)13-5-3-4-6-15(13)23)19-20-16(24-11-25-19)9-17(31-2)21(26-20)27-22(30)12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,26,27,30).
What are the key properties of N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide?
N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169231877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).