4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C24H32FN5O — CID 146644490

IUPAC4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCNCCN1CC(c2cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c2)CN1
InChIInChI=1S/C24H32FN5O/c1-3-9-26-10-11-30-15-18(14-27-30)17-5-4-6-19(12-17)28-24(31)22-13-20-21(25)8-7-16(2)23(20)29-22/h4-8,12,18,22,26-27,29H,3,9-11,13-15H2,1-2H3,(H,28,31)
InChIKeyCECALLSCJWQYON-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.01
Rot. Bonds8

About 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146644490) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146644490
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCNCCN1CC(c2cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c2)CN1
InChIInChI=1S/C24H32FN5O/c1-3-9-26-10-11-30-15-18(14-27-30)17-5-4-6-19(12-17)28-24(31)22-13-20-21(25)8-7-16(2)23(20)29-22/h4-8,12,18,22,26-27,29H,3,9-11,13-15H2,1-2H3,(H,28,31)
InChIKeyCECALLSCJWQYON-UHFFFAOYSA-N
XLogP3.01
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395040
4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146643765
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-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395559
4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394912
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146644490) is 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide is CCCNCCN1CC(c2cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c2)CN1.
What is the InChIKey of 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is CECALLSCJWQYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-3-9-26-10-11-30-15-18(14-27-30)17-5-4-6-19(12-17)28-24(31)22-13-20-21(25)8-7-16(2)23(20)29-22/h4-8,12,18,22,26-27,29H,3,9-11,13-15H2,1-2H3,(H,28,31).
What are the key properties of 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.01, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146644490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).