1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide

C23H23ClN6O4 — CID 160739887

IUPAC1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide
SMILESCC(=O)Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)Nc1cccc(Cl)n1)C1CC1
InChIInChI=1S/C23H23ClN6O4/c1-13(31)9-14-5-8-17-16(10-14)22(23(25)34)28-30(17)12-21(33)29(15-6-7-15)11-20(32)27-19-4-2-3-18(24)26-19/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H2,25,34)(H,26,27,32)
InChIKeyRVKYAVJLIOVBIW-UHFFFAOYSA-N
MW482.93 g/mol
LogP1.94
Rot. Bonds9

About 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide

1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide (PubChem CID 160739887) has the molecular formula C23H23ClN6O4 and a molecular weight of 482.93 g/mol. Its IUPAC name is 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide
PubChem CID160739887
Molecular FormulaC23H23ClN6O4
Molecular Weight482.93 g/mol
Exact Mass482.15
IUPAC Name1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide
SMILESCC(=O)Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)Nc1cccc(Cl)n1)C1CC1
InChIInChI=1S/C23H23ClN6O4/c1-13(31)9-14-5-8-17-16(10-14)22(23(25)34)28-30(17)12-21(33)29(15-6-7-15)11-20(32)27-19-4-2-3-18(24)26-19/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H2,25,34)(H,26,27,32)
InChIKeyRVKYAVJLIOVBIW-UHFFFAOYSA-N
XLogP1.94
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxo-2-piperazin-1-ylethyl)indazole-3-carboxamide
CID 158087784
1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299805
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-morpholin-4-yl-2-oxoethyl)indazole-3-carboxamide
CID 147398885
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(methylamino)indazole-3-carboxamide
CID 130323110
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxo-2-pyrrolidin-2-ylethyl)indazole-3-carboxamide
CID 162076609
1-[2-[[2-[(3-chloro-2-methylphenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 134192296
5-chloro-1-[2-[(1S,4R)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217367
methyl 3-carbamoyl-1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-5-carboxylate
CID 129229646
2-[3-acetyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 158849232
2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 130300230
tert-butyl N-[3-[[2-(3-carbamoyl-5-methylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate
CID 163411058
methyl N-[3-carbamoyl-1-[2-[(1S,5R,7S)-7-[(6-chloro-2-pyridinyl)carbamoyl]-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]indazol-5-yl]carbamate
CID 142495939

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide (CID 160739887) is 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide is CC(=O)Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)Nc1cccc(Cl)n1)C1CC1.
What is the InChIKey of 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide?
The InChIKey is RVKYAVJLIOVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O4/c1-13(31)9-14-5-8-17-16(10-14)22(23(25)34)28-30(17)12-21(33)29(15-6-7-15)11-20(32)27-19-4-2-3-18(24)26-19/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H2,25,34)(H,26,27,32).
What are the key properties of 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide?
1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide has a molecular weight of 482.93 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-oxopropyl)indazole-3-carboxamide is sourced from PubChem (CID 160739887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).