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

C23H29N7O3 — CID 118173099

IUPAC6-(dimethylamino)-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(N(C)C)n1
InChIInChI=1S/C23H29N7O3/c1-27(2)21-7-5-6-17(24-21)23(32)25-19-12-16-14-30(26-18(16)13-20(19)33-4)15-22(31)29-10-8-28(3)9-11-29/h5-7,12-14H,8-11,15H2,1-4H3,(H,25,32)
InChIKeyYIHOTCNKHMNTHK-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.53
Rot. Bonds6

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

6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173099) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173099
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name6-(dimethylamino)-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(N(C)C)n1
InChIInChI=1S/C23H29N7O3/c1-27(2)21-7-5-6-17(24-21)23(32)25-19-12-16-14-30(26-18(16)13-20(19)33-4)15-22(31)29-10-8-28(3)9-11-29/h5-7,12-14H,8-11,15H2,1-4H3,(H,25,32)
InChIKeyYIHOTCNKHMNTHK-UHFFFAOYSA-N
XLogP1.53
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]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-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173099) is 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-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(N(C)C)n1.
What is the InChIKey of 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is YIHOTCNKHMNTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-27(2)21-7-5-6-17(24-21)23(32)25-19-12-16-14-30(26-18(16)13-20(19)33-4)15-22(31)29-10-8-28(3)9-11-29/h5-7,12-14H,8-11,15H2,1-4H3,(H,25,32).
What are the key properties of 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).