1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide

C25H28ClN5O3 — CID 134192567

IUPAC1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCCCN(CC(=O)NCc1cccc(Cl)c1C1CC1)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C25H28ClN5O3/c1-2-12-30(14-21(32)28-13-17-6-5-8-19(26)23(17)16-10-11-16)22(33)15-31-20-9-4-3-7-18(20)24(29-31)25(27)34/h3-9,16H,2,10-15H2,1H3,(H2,27,34)(H,28,32)
InChIKeyQGYVSHHGTXVKQL-UHFFFAOYSA-N
MW481.98 g/mol
LogP3.22
Rot. Bonds10

About 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 134192567) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID134192567
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCCCN(CC(=O)NCc1cccc(Cl)c1C1CC1)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C25H28ClN5O3/c1-2-12-30(14-21(32)28-13-17-6-5-8-19(26)23(17)16-10-11-16)22(33)15-31-20-9-4-3-7-18(20)24(29-31)25(27)34/h3-9,16H,2,10-15H2,1H3,(H2,27,34)(H,28,32)
InChIKeyQGYVSHHGTXVKQL-UHFFFAOYSA-N
XLogP3.22
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300226
1-[2-[[2-[(3-chloro-2-methylphenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 134192296
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299832
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methyloxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300155
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299903
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-4-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300094
1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 167491226
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3R)-piperidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299961
2-[3-[amino(hydroxy)methyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-ethylacetamide
CID 139523363
7-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 139507748
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(methylamino)indazole-3-carboxamide
CID 130323110
N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-fluoroethyl)-2-(3-formylindazol-1-yl)acetamide
CID 166957735

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide (CID 134192567) is 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide is CCCN(CC(=O)NCc1cccc(Cl)c1C1CC1)C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is QGYVSHHGTXVKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c1-2-12-30(14-21(32)28-13-17-6-5-8-19(26)23(17)16-10-11-16)22(33)15-31-20-9-4-3-7-18(20)24(29-31)25(27)34/h3-9,16H,2,10-15H2,1H3,(H2,27,34)(H,28,32).
What are the key properties of 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 481.98 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-chloro-2-cyclopropylphenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 134192567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).