4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C19H21FN4O — CID 146643765

IUPAC4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CCNN3)c1)C2
InChIInChI=1S/C19H21FN4O/c1-11-5-6-15(20)14-10-17(23-18(11)14)19(25)22-13-4-2-3-12(9-13)16-7-8-21-24-16/h2-6,9,16-17,21,23-24H,7-8,10H2,1H3,(H,22,25)
InChIKeyODBPZHIOLGTPAJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.65
Rot. Bonds3

About 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146643765) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146643765
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CCNN3)c1)C2
InChIInChI=1S/C19H21FN4O/c1-11-5-6-15(20)14-10-17(23-18(11)14)19(25)22-13-4-2-3-12(9-13)16-7-8-21-24-16/h2-6,9,16-17,21,23-24H,7-8,10H2,1H3,(H,22,25)
InChIKeyODBPZHIOLGTPAJ-UHFFFAOYSA-N
XLogP2.65
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395040
4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394683
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395559
N-[3-(7-cycloheptyl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridin-2-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643736
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
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
4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394912
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-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395147
4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644490
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
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 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 146643765) is 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CCNN3)c1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is ODBPZHIOLGTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-11-5-6-15(20)14-10-17(23-18(11)14)19(25)22-13-4-2-3-12(9-13)16-7-8-21-24-16/h2-6,9,16-17,21,23-24H,7-8,10H2,1H3,(H,22,25).
What are the key properties of 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146643765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).