(1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide

C26H26FN7O2 — CID 169231695

IUPAC(1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCCn1cc(-c2ncnc3cc(OC)c(NC(=O)[C@]45C[C@H]4CN(C)C5)nc23)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H26FN7O2/c1-4-34-12-18(21(32-34)15-5-7-17(27)8-6-15)22-23-19(28-14-29-22)9-20(36-3)24(30-23)31-25(35)26-10-16(26)11-33(2)13-26/h5-9,12,14,16H,4,10-11,13H2,1-3H3,(H,30,31,35)/t16-,26-/m0/s1
InChIKeyPNZPVOUCIYTRIQ-QMTYFTJSSA-N
MW487.54 g/mol
LogP3.61
Rot. Bonds6

About (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide

(1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 169231695) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID169231695
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name(1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCCn1cc(-c2ncnc3cc(OC)c(NC(=O)[C@]45C[C@H]4CN(C)C5)nc23)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H26FN7O2/c1-4-34-12-18(21(32-34)15-5-7-17(27)8-6-15)22-23-19(28-14-29-22)9-20(36-3)24(30-23)31-25(35)26-10-16(26)11-33(2)13-26/h5-9,12,14,16H,4,10-11,13H2,1-3H3,(H,30,31,35)/t16-,26-/m0/s1
InChIKeyPNZPVOUCIYTRIQ-QMTYFTJSSA-N
XLogP3.61
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide with MolForge

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Related Compounds

N-[7-ethoxy-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 176837221
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
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
(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
(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
(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
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
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
CID 169231442
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
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
tert-butyl (1S,5S)-1-[[7-cyclopropyloxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 169231382

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 169231695) is (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide is CCn1cc(-c2ncnc3cc(OC)c(NC(=O)[C@]45C[C@H]4CN(C)C5)nc23)c(-c2ccc(F)cc2)n1.
What is the InChIKey of (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is PNZPVOUCIYTRIQ-QMTYFTJSSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-4-34-12-18(21(32-34)15-5-7-17(27)8-6-15)22-23-19(28-14-29-22)9-20(36-3)24(30-23)31-25(35)26-10-16(26)11-33(2)13-26/h5-9,12,14,16H,4,10-11,13H2,1-3H3,(H,30,31,35)/t16-,26-/m0/s1.
What are the key properties of (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?
(1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 169231695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).