N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C24H29F2N5O2 — CID 146394730

IUPACN-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(F)cc(N3CCN(C(=O)CN(C)C)CC3)c1)C2
InChIInChI=1S/C24H29F2N5O2/c1-15-4-5-20(26)19-13-21(28-23(15)19)24(33)27-17-10-16(25)11-18(12-17)30-6-8-31(9-7-30)22(32)14-29(2)3/h4-5,10-12,21,28H,6-9,13-14H2,1-3H3,(H,27,33)
InChIKeyCPQAPGUORAZVPT-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.46
Rot. Bonds5

About N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394730) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394730
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC NameN-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cc(F)cc(N3CCN(C(=O)CN(C)C)CC3)c1)C2
InChIInChI=1S/C24H29F2N5O2/c1-15-4-5-20(26)19-13-21(28-23(15)19)24(33)27-17-10-16(25)11-18(12-17)30-6-8-31(9-7-30)22(32)14-29(2)3/h4-5,10-12,21,28H,6-9,13-14H2,1-3H3,(H,27,33)
InChIKeyCPQAPGUORAZVPT-UHFFFAOYSA-N
XLogP2.46
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394887
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
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-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716
4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395048
4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394848
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
N-[3-chloro-5-[4-(dimethylamino)cyclohexyl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394576
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
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394730) is N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cc(F)cc(N3CCN(C(=O)CN(C)C)CC3)c1)C2.
What is the InChIKey of N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is CPQAPGUORAZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-15-4-5-20(26)19-13-21(28-23(15)19)24(33)27-17-10-16(25)11-18(12-17)30-6-8-31(9-7-30)22(32)14-29(2)3/h4-5,10-12,21,28H,6-9,13-14H2,1-3H3,(H,27,33).
What are the key properties of N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-5-fluorophenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).