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

C27H27N7O3 — CID 168849914

IUPAC3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CCCC4c4ccccc4)cc3)c2C(N)=O)ccn1
InChIInChI=1S/C27H27N7O3/c1-37-22-16-20(13-14-29-22)30-26-23(25(28)35)24(32-33-26)18-9-11-19(12-10-18)31-27(36)34-15-5-8-21(34)17-6-3-2-4-7-17/h2-4,6-7,9-14,16,21H,5,8,15H2,1H3,(H2,28,35)(H,31,36)(H2,29,30,32,33)
InChIKeyNVGFUANYSOHVCX-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.69
Rot. Bonds7

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

3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 168849914) 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-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID168849914
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CCCC4c4ccccc4)cc3)c2C(N)=O)ccn1
InChIInChI=1S/C27H27N7O3/c1-37-22-16-20(13-14-29-22)30-26-23(25(28)35)24(32-33-26)18-9-11-19(12-10-18)31-27(36)34-15-5-8-21(34)17-6-3-2-4-7-17/h2-4,6-7,9-14,16,21H,5,8,15H2,1H3,(H2,28,35)(H,31,36)(H2,29,30,32,33)
InChIKeyNVGFUANYSOHVCX-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849988
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849984
N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide
CID 168849923
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 55697597
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97252833
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide (CID 168849914) is 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide is COc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CCCC4c4ccccc4)cc3)c2C(N)=O)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NVGFUANYSOHVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-37-22-16-20(13-14-29-22)30-26-23(25(28)35)24(32-33-26)18-9-11-19(12-10-18)31-27(36)34-15-5-8-21(34)17-6-3-2-4-7-17/h2-4,6-7,9-14,16,21H,5,8,15H2,1H3,(H2,28,35)(H,31,36)(H2,29,30,32,33).
What are the key properties of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.69, 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-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 168849914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).