1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid

C24H27ClN6O4 — CID 11488894

IUPAC1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid
SMILESCC(C)N1CCC(NC(=O)c2nn(CC(=O)Nc3ccc(Cl)cn3)c3ccc(C(=O)O)cc23)CC1
InChIInChI=1S/C24H27ClN6O4/c1-14(2)30-9-7-17(8-10-30)27-23(33)22-18-11-15(24(34)35)3-5-19(18)31(29-22)13-21(32)28-20-6-4-16(25)12-26-20/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,27,33)(H,34,35)(H,26,28,32)
InChIKeyUCOGQNWNGDHSTR-UHFFFAOYSA-N
MW498.97 g/mol
LogP3.02
Rot. Bonds7

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid (PubChem CID 11488894) has the molecular formula C24H27ClN6O4 and a molecular weight of 498.97 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid
PubChem CID11488894
Molecular FormulaC24H27ClN6O4
Molecular Weight498.97 g/mol
Exact Mass498.18
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid
SMILESCC(C)N1CCC(NC(=O)c2nn(CC(=O)Nc3ccc(Cl)cn3)c3ccc(C(=O)O)cc23)CC1
InChIInChI=1S/C24H27ClN6O4/c1-14(2)30-9-7-17(8-10-30)27-23(33)22-18-11-15(24(34)35)3-5-19(18)31(29-22)13-21(32)28-20-6-4-16(25)12-26-20/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,27,33)(H,34,35)(H,26,28,32)
InChIKeyUCOGQNWNGDHSTR-UHFFFAOYSA-N
XLogP3.02
TPSA129.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid 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 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid (CID 11488894) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid is CC(C)N1CCC(NC(=O)c2nn(CC(=O)Nc3ccc(Cl)cn3)c3ccc(C(=O)O)cc23)CC1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid?
The InChIKey is UCOGQNWNGDHSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O4/c1-14(2)30-9-7-17(8-10-30)27-23(33)22-18-11-15(24(34)35)3-5-19(18)31(29-22)13-21(32)28-20-6-4-16(25)12-26-20/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,27,33)(H,34,35)(H,26,28,32).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid?
1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid has a molecular weight of 498.97 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carboxylic acid is sourced from PubChem (CID 11488894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).