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

C30H39FN4O — CID 146643736

IUPACN-[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
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CC4CCCC(C5CCCCCC5)N4N3)c1)C2
InChIInChI=1S/C30H39FN4O/c1-19-14-15-25(31)24-18-27(33-29(19)24)30(36)32-22-11-6-10-21(16-22)26-17-23-12-7-13-28(35(23)34-26)20-8-4-2-3-5-9-20/h6,10-11,14-16,20,23,26-28,33-34H,2-5,7-9,12-13,17-18H2,1H3,(H,32,36)
InChIKeyBLZRZPDYYLDKGL-UHFFFAOYSA-N
MW490.67 g/mol
LogP6.25
Rot. Bonds4

About 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

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 (PubChem CID 146643736) has the molecular formula C30H39FN4O and a molecular weight of 490.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID146643736
Molecular FormulaC30H39FN4O
Molecular Weight490.67 g/mol
Exact Mass490.31
IUPAC NameN-[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
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CC4CCCC(C5CCCCCC5)N4N3)c1)C2
InChIInChI=1S/C30H39FN4O/c1-19-14-15-25(31)24-18-27(33-29(19)24)30(36)32-22-11-6-10-21(16-22)26-17-23-12-7-13-28(35(23)34-26)20-8-4-2-3-5-9-20/h6,10-11,14-16,20,23,26-28,33-34H,2-5,7-9,12-13,17-18H2,1H3,(H,32,36)
InChIKeyBLZRZPDYYLDKGL-UHFFFAOYSA-N
XLogP6.25
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.67
LogP ≤ 56.25
H-Bond Donors ≤ 53
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-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-(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
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
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-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
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CC4CCCC(C5CCCCCC5)N4N3)c1)C2.
What is the InChIKey of 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?
The InChIKey is BLZRZPDYYLDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O/c1-19-14-15-25(31)24-18-27(33-29(19)24)30(36)32-22-11-6-10-21(16-22)26-17-23-12-7-13-28(35(23)34-26)20-8-4-2-3-5-9-20/h6,10-11,14-16,20,23,26-28,33-34H,2-5,7-9,12-13,17-18H2,1H3,(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 490.67 g/mol, XLogP of 6.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146643736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).