6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

C24H29N7O3 — CID 118173180

IUPAC6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NC2CC2)n1
InChIInChI=1S/C24H29N7O3/c1-29-8-10-30(11-9-29)23(32)15-31-14-16-12-20(21(34-2)13-19(16)28-31)27-24(33)18-4-3-5-22(26-18)25-17-6-7-17/h3-5,12-14,17H,6-11,15H2,1-2H3,(H,25,26)(H,27,33)
InChIKeyKWLIOMNKDIGDFE-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.04
Rot. Bonds7

About 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173180) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173180
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NC2CC2)n1
InChIInChI=1S/C24H29N7O3/c1-29-8-10-30(11-9-29)23(32)15-31-14-16-12-20(21(34-2)13-19(16)28-31)27-24(33)18-4-3-5-22(26-18)25-17-6-7-17/h3-5,12-14,17H,6-11,15H2,1-2H3,(H,25,26)(H,27,33)
InChIKeyKWLIOMNKDIGDFE-UHFFFAOYSA-N
XLogP2.04
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173180) is 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NC2CC2)n1.
What is the InChIKey of 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is KWLIOMNKDIGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-29-8-10-30(11-9-29)23(32)15-31-14-16-12-20(21(34-2)13-19(16)28-31)27-24(33)18-4-3-5-22(26-18)25-17-6-7-17/h3-5,12-14,17H,6-11,15H2,1-2H3,(H,25,26)(H,27,33).
What are the key properties of 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).