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

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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).