N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C27H31N7O3 — CID 118173159

IUPACN-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCC(C(C)(C)O)CC5)cc4c3)n2)cn1
InChIInChI=1S/C27H31N7O3/c1-27(2,37)20-9-11-33(12-10-20)25(35)17-34-16-18-13-21(7-8-23(18)31-34)29-26(36)24-6-4-5-22(30-24)19-14-28-32(3)15-19/h4-8,13-16,20,37H,9-12,17H2,1-3H3,(H,29,36)
InChIKeyWCRXXVUUUJTTPR-UHFFFAOYSA-N
MW501.59 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118173159) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118173159
Molecular FormulaC27H31N7O3
Molecular Weight501.59 g/mol
Exact Mass501.25
IUPAC NameN-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCC(C(C)(C)O)CC5)cc4c3)n2)cn1
InChIInChI=1S/C27H31N7O3/c1-27(2,37)20-9-11-33(12-10-20)25(35)17-34-16-18-13-21(7-8-23(18)31-34)29-26(36)24-6-4-5-22(30-24)19-14-28-32(3)15-19/h4-8,13-16,20,37H,9-12,17H2,1-3H3,(H,29,36)
InChIKeyWCRXXVUUUJTTPR-UHFFFAOYSA-N
XLogP3.09
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-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 N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118173159) is N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCC(C(C)(C)O)CC5)cc4c3)n2)cn1.
What is the InChIKey of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is WCRXXVUUUJTTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-27(2,37)20-9-11-33(12-10-20)25(35)17-34-16-18-13-21(7-8-23(18)31-34)29-26(36)24-6-4-5-22(30-24)19-14-28-32(3)15-19/h4-8,13-16,20,37H,9-12,17H2,1-3H3,(H,29,36).
What are the key properties of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118173159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).