5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide

C27H27N7O3 — CID 171682122

IUPAC5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cnn(C3CCN(C(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)CC3)c2)CN1
InChIInChI=1S/C27H27N7O3/c35-24-13-19(14-28-24)26(36)30-20-15-29-34(16-20)21-8-10-33(11-9-21)27(37)25-22-7-6-18(12-23(22)31-32-25)17-4-2-1-3-5-17/h1-7,12,15-16,19,21H,8-11,13-14H2,(H,28,35)(H,30,36)(H,31,32)
InChIKeyFDOKHTPJJGDJSS-UHFFFAOYSA-N
MW497.56 g/mol
LogP2.98
Rot. Bonds5

About 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide

5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 171682122) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID171682122
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cnn(C3CCN(C(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)CC3)c2)CN1
InChIInChI=1S/C27H27N7O3/c35-24-13-19(14-28-24)26(36)30-20-15-29-34(16-20)21-8-10-33(11-9-21)27(37)25-22-7-6-18(12-23(22)31-32-25)17-4-2-1-3-5-17/h1-7,12,15-16,19,21H,8-11,13-14H2,(H,28,35)(H,30,36)(H,31,32)
InChIKeyFDOKHTPJJGDJSS-UHFFFAOYSA-N
XLogP2.98
TPSA125.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 171682122) is 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cnn(C3CCN(C(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)CC3)c2)CN1.
What is the InChIKey of 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is FDOKHTPJJGDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c35-24-13-19(14-28-24)26(36)30-20-15-29-34(16-20)21-8-10-33(11-9-21)27(37)25-22-7-6-18(12-23(22)31-32-25)17-4-2-1-3-5-17/h1-7,12,15-16,19,21H,8-11,13-14H2,(H,28,35)(H,30,36)(H,31,32).
What are the key properties of 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide?
5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171682122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).