N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C24H29F3N4O — CID 146394887

IUPACN-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(C(F)F)cc(N3CCC(N(C)C)CC3)c1)C2
InChIInChI=1S/C24H29F3N4O/c1-14-4-5-20(25)19-13-21(29-22(14)19)24(32)28-16-10-15(23(26)27)11-18(12-16)31-8-6-17(7-9-31)30(2)3/h4-5,10-12,17,21,23,29H,6-9,13H2,1-3H3,(H,28,32)
InChIKeyIRAXCJOQFLVBCW-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.58
Rot. Bonds5

About N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394887) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394887
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC NameN-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(C(F)F)cc(N3CCC(N(C)C)CC3)c1)C2
InChIInChI=1S/C24H29F3N4O/c1-14-4-5-20(25)19-13-21(29-22(14)19)24(32)28-16-10-15(23(26)27)11-18(12-16)31-8-6-17(7-9-31)30(2)3/h4-5,10-12,17,21,23,29H,6-9,13H2,1-3H3,(H,28,32)
InChIKeyIRAXCJOQFLVBCW-UHFFFAOYSA-N
XLogP4.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-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-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394730
N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643349
N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394576
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716
N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395048
N-[3-[(3S,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395557
N-[3-[1-(2,2-difluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394826
N-[3-(6-acetyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394742
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
N-[3-(4-acetyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl)-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395435
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394887) is N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cc(C(F)F)cc(N3CCC(N(C)C)CC3)c1)C2.
What is the InChIKey of N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is IRAXCJOQFLVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-14-4-5-20(25)19-13-21(29-22(14)19)24(32)28-16-10-15(23(26)27)11-18(12-16)31-8-6-17(7-9-31)30(2)3/h4-5,10-12,17,21,23,29H,6-9,13H2,1-3H3,(H,28,32).
What are the key properties of N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).