N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide

C27H28N6O4S — CID 118172941

IUPACN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cccc(S(C)(=O)=O)c5)n4)ccc3n2)CC1
InChIInChI=1S/C27H28N6O4S/c1-31-11-13-32(14-12-31)26(34)18-33-17-20-15-21(9-10-24(20)30-33)28-27(35)25-8-4-7-23(29-25)19-5-3-6-22(16-19)38(2,36)37/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,35)
InChIKeyNQPLIOQFVHQRDU-UHFFFAOYSA-N
MW532.63 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide

N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 118172941) has the molecular formula C27H28N6O4S and a molecular weight of 532.63 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID118172941
Molecular FormulaC27H28N6O4S
Molecular Weight532.63 g/mol
Exact Mass532.19
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cccc(S(C)(=O)=O)c5)n4)ccc3n2)CC1
InChIInChI=1S/C27H28N6O4S/c1-31-11-13-32(14-12-31)26(34)18-33-17-20-15-21(9-10-24(20)30-33)28-27(35)25-8-4-7-23(29-25)19-5-3-6-22(16-19)38(2,36)37/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,35)
InChIKeyNQPLIOQFVHQRDU-UHFFFAOYSA-N
XLogP2.53
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)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 N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide (CID 118172941) is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cccc(S(C)(=O)=O)c5)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is NQPLIOQFVHQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S/c1-31-11-13-32(14-12-31)26(34)18-33-17-20-15-21(9-10-24(20)30-33)28-27(35)25-8-4-7-23(29-25)19-5-3-6-22(16-19)38(2,36)37/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,35).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 532.63 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).