2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole

C20H20ClF2N3 — CID 134329795

IUPAC2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
SMILESFC(F)Cc1c(-c2ccnc(Cl)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C20H20ClF2N3/c21-18-10-14(5-8-25-18)20-16(11-19(22)23)15-9-13(1-2-17(15)26-20)12-3-6-24-7-4-12/h1-2,5,8-10,12,19,24,26H,3-4,6-7,11H2
InChIKeyYAIDWAMPVPDIBE-UHFFFAOYSA-N
MW375.85 g/mol
LogP5.16
Rot. Bonds4

About 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole

2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole (PubChem CID 134329795) has the molecular formula C20H20ClF2N3 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
PubChem CID134329795
Molecular FormulaC20H20ClF2N3
Molecular Weight375.85 g/mol
Exact Mass375.13
IUPAC Name2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
SMILESFC(F)Cc1c(-c2ccnc(Cl)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C20H20ClF2N3/c21-18-10-14(5-8-25-18)20-16(11-19(22)23)15-9-13(1-2-17(15)26-20)12-3-6-24-7-4-12/h1-2,5,8-10,12,19,24,26H,3-4,6-7,11H2
InChIKeyYAIDWAMPVPDIBE-UHFFFAOYSA-N
XLogP5.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.85
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 142594418
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole;hydrochloride
CID 134231013
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
(4Z,6E)-6-[3-(2-fluoropropyl)-5-piperidin-4-yl-1H-indol-2-yl]-4-methyl-9,9a-dihydro-8H-cycloocta[d]imidazole
CID 145432023
6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 142594226
2-amino-4-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)pyridin-3-ol
CID 134329906
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
tert-butyl 4-[3-(2,2-difluoroethyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 134230568
(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
CID 142594662
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole (CID 134329795) is 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole is FC(F)Cc1c(-c2ccnc(Cl)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole?
The InChIKey is YAIDWAMPVPDIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3/c21-18-10-14(5-8-25-18)20-16(11-19(22)23)15-9-13(1-2-17(15)26-20)12-3-6-24-7-4-12/h1-2,5,8-10,12,19,24,26H,3-4,6-7,11H2.
What are the key properties of 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole?
2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole has a molecular weight of 375.85 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 134329795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).