3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine

C18H19FN4 — CID 117163416

IUPAC3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1Cn1c(CC2CCCN2)nc2cccnc21
InChIInChI=1S/C18H19FN4/c19-15-7-2-1-5-13(15)12-23-17(11-14-6-3-9-20-14)22-16-8-4-10-21-18(16)23/h1-2,4-5,7-8,10,14,20H,3,6,9,11-12H2
InChIKeyWDXKVMCOIVFFPK-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.91
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine

3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163416) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163416
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1Cn1c(CC2CCCN2)nc2cccnc21
InChIInChI=1S/C18H19FN4/c19-15-7-2-1-5-13(15)12-23-17(11-14-6-3-9-20-14)22-16-8-4-10-21-18(16)23/h1-2,4-5,7-8,10,14,20H,3,6,9,11-12H2
InChIKeyWDXKVMCOIVFFPK-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165916
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163804
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162519
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163416) is 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is Fc1ccccc1Cn1c(CC2CCCN2)nc2cccnc21.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is WDXKVMCOIVFFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-15-7-2-1-5-13(15)12-23-17(11-14-6-3-9-20-14)22-16-8-4-10-21-18(16)23/h1-2,4-5,7-8,10,14,20H,3,6,9,11-12H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 310.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).