2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine

C17H14ClFN6 — CID 20812108

IUPAC2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine
SMILESFCCn1c(Cn2ccnc2-c2cc(Cl)ccn2)nc2cccnc21
InChIInChI=1S/C17H14ClFN6/c18-12-3-6-20-14(10-12)16-22-7-9-24(16)11-15-23-13-2-1-5-21-17(13)25(15)8-4-19/h1-3,5-7,9-10H,4,8,11H2
InChIKeyLQQRIGKHGNIIOC-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.36
Rot. Bonds5

About 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine

2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine (PubChem CID 20812108) has the molecular formula C17H14ClFN6 and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine
PubChem CID20812108
Molecular FormulaC17H14ClFN6
Molecular Weight356.79 g/mol
Exact Mass356.10
IUPAC Name2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine
SMILESFCCn1c(Cn2ccnc2-c2cc(Cl)ccn2)nc2cccnc21
InChIInChI=1S/C17H14ClFN6/c18-12-3-6-20-14(10-12)16-22-7-9-24(16)11-15-23-13-2-1-5-21-17(13)25(15)8-4-19/h1-3,5-7,9-10H,4,8,11H2
InChIKeyLQQRIGKHGNIIOC-UHFFFAOYSA-N
XLogP3.36
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933
3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812062
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20812124
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
CID 22380244
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366
3-propyl-2-[[2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 70838226
3-ethyl-2-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 22380033
5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812018
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 71649911
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine (CID 20812108) is 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine is FCCn1c(Cn2ccnc2-c2cc(Cl)ccn2)nc2cccnc21.
What is the InChIKey of 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine?
The InChIKey is LQQRIGKHGNIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN6/c18-12-3-6-20-14(10-12)16-22-7-9-24(16)11-15-23-13-2-1-5-21-17(13)25(15)8-4-19/h1-3,5-7,9-10H,4,8,11H2.
What are the key properties of 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine?
2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine has a molecular weight of 356.79 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 20812108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).