1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide

C22H23F2N5O2 — CID 139523427

IUPAC1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CCN(CC(=O)NCc2cccc(F)c2F)C2CC2)c2ccccc12
InChIInChI=1S/C22H23F2N5O2/c23-17-6-3-4-14(20(17)24)12-26-19(30)13-28(15-8-9-15)10-11-29-18-7-2-1-5-16(18)21(27-29)22(25)31/h1-7,15H,8-13H2,(H2,25,31)(H,26,30)
InChIKeyVDCIGEYTQNLMBL-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.19
Rot. Bonds9

About 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide

1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide (PubChem CID 139523427) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide
PubChem CID139523427
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CCN(CC(=O)NCc2cccc(F)c2F)C2CC2)c2ccccc12
InChIInChI=1S/C22H23F2N5O2/c23-17-6-3-4-14(20(17)24)12-26-19(30)13-28(15-8-9-15)10-11-29-18-7-2-1-5-16(18)21(27-29)22(25)31/h1-7,15H,8-13H2,(H2,25,31)(H,26,30)
InChIKeyVDCIGEYTQNLMBL-UHFFFAOYSA-N
XLogP2.19
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-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-[[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]-[(3R)-piperidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299961
7-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 139507748
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299832
N-[[5-(aminomethyl)-3-chloro-2-fluorophenyl]methyl]-2-[cyclopropyl(methyl)amino]acetamide;1-(2-oxoethyl)indazole-3-carboxamide
CID 145446457
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]-[(3-methyloxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300155

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide (CID 139523427) is 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide is NC(=O)c1nn(CCN(CC(=O)NCc2cccc(F)c2F)C2CC2)c2ccccc12.
What is the InChIKey of 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide?
The InChIKey is VDCIGEYTQNLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c23-17-6-3-4-14(20(17)24)12-26-19(30)13-28(15-8-9-15)10-11-29-18-7-2-1-5-16(18)21(27-29)22(25)31/h1-7,15H,8-13H2,(H2,25,31)(H,26,30).
What are the key properties of 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide?
1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 139523427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).