2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

C27H35FN4O — CID 134329476

IUPAC2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C27H35FN4O/c1-16(2)26-22-12-21(19-7-9-32(10-8-19)15-25(33)31(5)6)23(28)13-24(22)30-27(26)20-11-18(4)29-14-17(20)3/h11-14,16,19,30H,7-10,15H2,1-6H3
InChIKeyXWLCLCZUNGZYHB-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.38
Rot. Bonds5

About 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 134329476) has the molecular formula C27H35FN4O and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID134329476
Molecular FormulaC27H35FN4O
Molecular Weight450.60 g/mol
Exact Mass450.28
IUPAC Name2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C27H35FN4O/c1-16(2)26-22-12-21(19-7-9-32(10-8-19)15-25(33)31(5)6)23(28)13-24(22)30-27(26)20-11-18(4)29-14-17(20)3/h11-14,16,19,30H,7-10,15H2,1-6H3
InChIKeyXWLCLCZUNGZYHB-UHFFFAOYSA-N
XLogP5.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

Fce 23884
CID 65898
Gevotroline
CID 60547
(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
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 656755
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
Gevotroline Hydrochloride
CID 60546
Carvotroline Hydrochloride
CID 72037
Carvotroline
CID 72038
3-{[4-(4-fluorophenyl)piperazino]methyl}-1H-indole
CID 2812866
(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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 134329476) is 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is Cc1cc(-c2[nH]c3cc(F)c(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)c(C)cn1.
What is the InChIKey of 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is XWLCLCZUNGZYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O/c1-16(2)26-22-12-21(19-7-9-32(10-8-19)15-25(33)31(5)6)23(28)13-24(22)30-27(26)20-11-18(4)29-14-17(20)3/h11-14,16,19,30H,7-10,15H2,1-6H3.
What are the key properties of 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 450.60 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dimethyl-4-pyridinyl)-6-fluoro-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 134329476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).