4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C24H33FN4O3 — CID 146394885

IUPAC4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@@H](N3CCN(C(=O)C4COC4)CC3)C1)C2
InChIInChI=1S/C24H33FN4O3/c1-15-5-6-20(25)19-12-21(27-22(15)19)23(30)26-17-3-2-4-18(11-17)28-7-9-29(10-8-28)24(31)16-13-32-14-16/h5-6,16-18,21,27H,2-4,7-14H2,1H3,(H,26,30)/t17-,18-,21?/m1/s1
InChIKeyMZWDNAHFZMQOMS-FYQIFJIOSA-N
MW444.55 g/mol
LogP1.69
Rot. Bonds4

About 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394885) has the molecular formula C24H33FN4O3 and a molecular weight of 444.55 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394885
Molecular FormulaC24H33FN4O3
Molecular Weight444.55 g/mol
Exact Mass444.25
IUPAC Name4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@@H](N3CCN(C(=O)C4COC4)CC3)C1)C2
InChIInChI=1S/C24H33FN4O3/c1-15-5-6-20(25)19-12-21(27-22(15)19)23(30)26-17-3-2-4-18(11-17)28-7-9-29(10-8-28)24(31)16-13-32-14-16/h5-6,16-18,21,27H,2-4,7-14H2,1H3,(H,26,30)/t17-,18-,21?/m1/s1
InChIKeyMZWDNAHFZMQOMS-FYQIFJIOSA-N
XLogP1.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-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

4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394676
4-fluoro-7-methyl-N-[(1R,3S)-3-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395471
4-fluoro-7-methyl-N-[(1R,3S)-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395082
N-[(1R,3R)-3-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395114
N-[(1R,3S)-3-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394891
4-fluoro-7-methyl-N-[(1R,3R)-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395100
4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394562
N-[(1R,3R)-3-(5-acetyl-2,5-diazabicyclo[2.2.2]octan-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394824
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-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395544
N-[(1R,3S)-3-[(3R)-3-[ethyl(methylsulfonyl)amino]pyrrolidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395158
N-[(1R)-3-[3-[acetyl(2-methoxyethyl)amino]pyrrolidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395056

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146394885) is 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@@H](N3CCN(C(=O)C4COC4)CC3)C1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MZWDNAHFZMQOMS-FYQIFJIOSA-N. The full InChI is InChI=1S/C24H33FN4O3/c1-15-5-6-20(25)19-12-21(27-22(15)19)23(30)26-17-3-2-4-18(11-17)28-7-9-29(10-8-28)24(31)16-13-32-14-16/h5-6,16-18,21,27H,2-4,7-14H2,1H3,(H,26,30)/t17-,18-,21?/m1/s1.
What are the key properties of 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).