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

C24H26F2N4O2 — CID 146395435

IUPACN-[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
SMILESCC(=O)N1CCC2C1CCN2c1cc(F)cc(NC(=O)C2Cc3c(F)ccc(C)c3N2)c1
InChIInChI=1S/C24H26F2N4O2/c1-13-3-4-19(26)18-12-20(28-23(13)18)24(32)27-16-9-15(25)10-17(11-16)30-8-6-21-22(30)5-7-29(21)14(2)31/h3-4,9-11,20-22,28H,5-8,12H2,1-2H3,(H,27,32)
InChIKeyBBRDMQUZOMQSFN-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.45
Rot. Bonds3

About 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

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 (PubChem CID 146395435) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID146395435
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[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
SMILESCC(=O)N1CCC2C1CCN2c1cc(F)cc(NC(=O)C2Cc3c(F)ccc(C)c3N2)c1
InChIInChI=1S/C24H26F2N4O2/c1-13-3-4-19(26)18-12-20(28-23(13)18)24(32)27-16-9-15(25)10-17(11-16)30-8-6-21-22(30)5-7-29(21)14(2)31/h3-4,9-11,20-22,28H,5-8,12H2,1-2H3,(H,27,32)
InChIKeyBBRDMQUZOMQSFN-UHFFFAOYSA-N
XLogP3.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
N-[3-(5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395528
4-fluoro-N-[3-fluoro-5-(4-morpholin-4-ylcyclohexyl)phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394848
N-[(1R,3S)-3-[(3aR,6aR)-4-acetyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395233
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
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-(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
N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394887
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
N-[3-(1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643336
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC2C1CCN2c1cc(F)cc(NC(=O)C2Cc3c(F)ccc(C)c3N2)c1.
What is the InChIKey of 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?
The InChIKey is BBRDMQUZOMQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-13-3-4-19(26)18-12-20(28-23(13)18)24(32)27-16-9-15(25)10-17(11-16)30-8-6-21-22(30)5-7-29(21)14(2)31/h3-4,9-11,20-22,28H,5-8,12H2,1-2H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 440.49 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146395435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).