N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide

C27H25N7O3 — CID 71075450

IUPACN-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3nccc4oc(N5CCCC5c5ccccn5)cc34)n[nH]2)c1
InChIInChI=1S/C27H25N7O3/c1-36-18-7-4-6-17(14-18)30-27(35)21-16-24(33-32-21)31-26-19-15-25(37-23(19)10-12-29-26)34-13-5-9-22(34)20-8-2-3-11-28-20/h2-4,6-8,10-12,14-16,22H,5,9,13H2,1H3,(H,30,35)(H2,29,31,32,33)
InChIKeyATVAKIGJBSGQRI-UHFFFAOYSA-N
MW495.54 g/mol
LogP5.29
Rot. Bonds7

About N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide

N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 71075450) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide
PubChem CID71075450
Molecular FormulaC27H25N7O3
Molecular Weight495.54 g/mol
Exact Mass495.20
IUPAC NameN-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3nccc4oc(N5CCCC5c5ccccn5)cc34)n[nH]2)c1
InChIInChI=1S/C27H25N7O3/c1-36-18-7-4-6-17(14-18)30-27(35)21-16-24(33-32-21)31-26-19-15-25(37-23(19)10-12-29-26)34-13-5-9-22(34)20-8-2-3-11-28-20/h2-4,6-8,10-12,14-16,22H,5,9,13H2,1H3,(H,30,35)(H2,29,31,32,33)
InChIKeyATVAKIGJBSGQRI-UHFFFAOYSA-N
XLogP5.29
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 24824686
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
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3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
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N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide (CID 71075450) is N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide is COc1cccc(NC(=O)c2cc(Nc3nccc4oc(N5CCCC5c5ccccn5)cc34)n[nH]2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is ATVAKIGJBSGQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c1-36-18-7-4-6-17(14-18)30-27(35)21-16-24(33-32-21)31-26-19-15-25(37-23(19)10-12-29-26)34-13-5-9-22(34)20-8-2-3-11-28-20/h2-4,6-8,10-12,14-16,22H,5,9,13H2,1H3,(H,30,35)(H2,29,31,32,33).
What are the key properties of N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide?
N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 5.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)furo[3,2-c]pyridin-4-yl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).