1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

C28H35FN4O — CID 134329259

IUPAC1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCC(C)c1c(-c2cc(C3CC3)ncc2F)[nH]c2ccc(C3CCN(C(=O)CN(C)C)CC3)cc12
InChIInChI=1S/C28H35FN4O/c1-17(2)27-22-13-20(18-9-11-33(12-10-18)26(34)16-32(3)4)7-8-24(22)31-28(27)21-14-25(19-5-6-19)30-15-23(21)29/h7-8,13-15,17-19,31H,5-6,9-12,16H2,1-4H3
InChIKeyWCBGCLVHAKTYNO-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.64
Rot. Bonds6

About 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 134329259) has the molecular formula C28H35FN4O and a molecular weight of 462.61 g/mol. Its IUPAC name is 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID134329259
Molecular FormulaC28H35FN4O
Molecular Weight462.61 g/mol
Exact Mass462.28
IUPAC Name1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCC(C)c1c(-c2cc(C3CC3)ncc2F)[nH]c2ccc(C3CCN(C(=O)CN(C)C)CC3)cc12
InChIInChI=1S/C28H35FN4O/c1-17(2)27-22-13-20(18-9-11-33(12-10-18)26(34)16-32(3)4)7-8-24(22)31-28(27)21-14-25(19-5-6-19)30-15-23(21)29/h7-8,13-15,17-19,31H,5-6,9-12,16H2,1-4H3
InChIKeyWCBGCLVHAKTYNO-UHFFFAOYSA-N
XLogP5.64
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone with MolForge

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Related Compounds

Fce 23884
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Gevotroline
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(S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropan-1-one
CID 10231401
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Gevotroline Hydrochloride
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Carvotroline Hydrochloride
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Carvotroline
CID 72038
(2S)-2-amino-3-(1H-indol-3-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 10172738
4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951573
4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-[3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 16478638

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 134329259) is 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is CC(C)c1c(-c2cc(C3CC3)ncc2F)[nH]c2ccc(C3CCN(C(=O)CN(C)C)CC3)cc12.
What is the InChIKey of 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is WCBGCLVHAKTYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O/c1-17(2)27-22-13-20(18-9-11-33(12-10-18)26(34)16-32(3)4)7-8-24(22)31-28(27)21-14-25(19-5-6-19)30-15-23(21)29/h7-8,13-15,17-19,31H,5-6,9-12,16H2,1-4H3.
What are the key properties of 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 462.61 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 134329259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).