2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine

C18H18ClF3N6 — CID 91800608

IUPAC2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
SMILESCn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccncc21
InChIInChI=1S/C18H18ClF3N6/c1-26-15-10-23-3-2-14(15)25-16(26)11-27-4-6-28(7-5-27)17-13(19)8-12(9-24-17)18(20,21)22/h2-3,8-10H,4-7,11H2,1H3
InChIKeyWOPQVBHWIZFFNA-UHFFFAOYSA-N
MW410.83 g/mol
LogP3.36
Rot. Bonds3

About 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine

2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine (PubChem CID 91800608) has the molecular formula C18H18ClF3N6 and a molecular weight of 410.83 g/mol. Its IUPAC name is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
PubChem CID91800608
Molecular FormulaC18H18ClF3N6
Molecular Weight410.83 g/mol
Exact Mass410.12
IUPAC Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
SMILESCn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccncc21
InChIInChI=1S/C18H18ClF3N6/c1-26-15-10-23-3-2-14(15)25-16(26)11-27-4-6-28(7-5-27)17-13(19)8-12(9-24-17)18(20,21)22/h2-3,8-10H,4-7,11H2,1H3
InChIKeyWOPQVBHWIZFFNA-UHFFFAOYSA-N
XLogP3.36
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine with MolForge

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Related Compounds

Bms-279700
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3-((5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl)methyl)-1-cyclopropyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 86698151
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N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
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N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
6-chloro-9-[(4-iodo-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 11407335
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
CID 16736767

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine (CID 91800608) is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine is Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccncc21.
What is the InChIKey of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine?
The InChIKey is WOPQVBHWIZFFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N6/c1-26-15-10-23-3-2-14(15)25-16(26)11-27-4-6-28(7-5-27)17-13(19)8-12(9-24-17)18(20,21)22/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine?
2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine has a molecular weight of 410.83 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 91800608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).