3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide

C27H27N7O3 — CID 168849988

IUPAC3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CC[C@H](c5ccccc5)C4)cc3)c2C(N)=O)ccn1
InChIInChI=1S/C27H27N7O3/c1-37-22-15-21(11-13-29-22)30-26-23(25(28)35)24(32-33-26)18-7-9-20(10-8-18)31-27(36)34-14-12-19(16-34)17-5-3-2-4-6-17/h2-11,13,15,19H,12,14,16H2,1H3,(H2,28,35)(H,31,36)(H2,29,30,32,33)/t19-/m0/s1
InChIKeyUWTANOQPPMFYCZ-IBGZPJMESA-N
MW497.56 g/mol
LogP4.34
Rot. Bonds7

About 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide

3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 168849988) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID168849988
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CC[C@H](c5ccccc5)C4)cc3)c2C(N)=O)ccn1
InChIInChI=1S/C27H27N7O3/c1-37-22-15-21(11-13-29-22)30-26-23(25(28)35)24(32-33-26)18-7-9-20(10-8-18)31-27(36)34-14-12-19(16-34)17-5-3-2-4-6-17/h2-11,13,15,19H,12,14,16H2,1H3,(H2,28,35)(H,31,36)(H2,29,30,32,33)/t19-/m0/s1
InChIKeyUWTANOQPPMFYCZ-IBGZPJMESA-N
XLogP4.34
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1H-Pyrazol-5-yl)-6-(pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89906874
N-[(4-Methoxyphenyl)methyl]-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16011961
N-(4-Methoxyphenyl)-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 16012026
N-[(3-Methoxyphenyl)methyl]-3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carboxamide
CID 16025096
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]urea
CID 71459745
7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide
CID 155516371
1-[1-(4-Fluorophenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 16021947
1-[1-(4-Fluorophenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 16021945
N~4~-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16025072
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 25223871
N-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25224082
2-methoxy-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716965

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide (CID 168849988) is 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide is COc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CC[C@H](c5ccccc5)C4)cc3)c2C(N)=O)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UWTANOQPPMFYCZ-IBGZPJMESA-N. The full InChI is InChI=1S/C27H27N7O3/c1-37-22-15-21(11-13-29-22)30-26-23(25(28)35)24(32-33-26)18-7-9-20(10-8-18)31-27(36)34-14-12-19(16-34)17-5-3-2-4-6-17/h2-11,13,15,19H,12,14,16H2,1H3,(H2,28,35)(H,31,36)(H2,29,30,32,33)/t19-/m0/s1.
What are the key properties of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.34, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 168849988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).