N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide

C19H18F2N4O2 — CID 170858789

IUPACN-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-11(13-7-6-12(20)10-15(13)21)23-17(26)8-9-22-19(27)18-14-4-2-3-5-16(14)24-25-18/h2-7,10-11H,8-9H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyPCRJBUAWQPFZOE-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.84
Rot. Bonds6

About N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide

N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 170858789) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID170858789
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c1-11(13-7-6-12(20)10-15(13)21)23-17(26)8-9-22-19(27)18-14-4-2-3-5-16(14)24-25-18/h2-7,10-11H,8-9H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyPCRJBUAWQPFZOE-UHFFFAOYSA-N
XLogP2.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-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

N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
CID 84958314
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-methylpentanamide;molecular hydrogen;1H-quinazoline-2,4-dione
CID 177351786
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide
CID 170858637
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide (CID 170858789) is N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide is CC(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is PCRJBUAWQPFZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-11(13-7-6-12(20)10-15(13)21)23-17(26)8-9-22-19(27)18-14-4-2-3-5-16(14)24-25-18/h2-7,10-11H,8-9H2,1H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).