6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide

C28H32N8O2 — CID 118172940

IUPAC6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCC(N6CCCC6)CC5)cc4c3)n2)cn1
InChIInChI=1S/C28H32N8O2/c1-33-17-21(16-29-33)24-5-4-6-26(31-24)28(38)30-22-7-8-25-20(15-22)18-36(32-25)19-27(37)35-13-9-23(10-14-35)34-11-2-3-12-34/h4-8,15-18,23H,2-3,9-14,19H2,1H3,(H,30,38)
InChIKeyXKSIASNOIXBKCM-UHFFFAOYSA-N
MW512.62 g/mol
LogP3.17
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide

6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118172940) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118172940
Molecular FormulaC28H32N8O2
Molecular Weight512.62 g/mol
Exact Mass512.26
IUPAC Name6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCC(N6CCCC6)CC5)cc4c3)n2)cn1
InChIInChI=1S/C28H32N8O2/c1-33-17-21(16-29-33)24-5-4-6-26(31-24)28(38)30-22-7-8-25-20(15-22)18-36(32-25)19-27(37)35-13-9-23(10-14-35)34-11-2-3-12-34/h4-8,15-18,23H,2-3,9-14,19H2,1H3,(H,30,38)
InChIKeyXKSIASNOIXBKCM-UHFFFAOYSA-N
XLogP3.17
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.62
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118172940) is 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide is Cn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCC(N6CCCC6)CC5)cc4c3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is XKSIASNOIXBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-33-17-21(16-29-33)24-5-4-6-26(31-24)28(38)30-22-7-8-25-20(15-22)18-36(32-25)19-27(37)35-13-9-23(10-14-35)34-11-2-3-12-34/h4-8,15-18,23H,2-3,9-14,19H2,1H3,(H,30,38).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 512.62 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118172940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).