3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine

C22H20F3N7 — CID 169033264

IUPAC3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
SMILESCC1CNCCN1c1ccc2nc(-c3ccc(F)cn3)n(-c3ccnc(C(F)F)c3)c2n1
InChIInChI=1S/C22H20F3N7/c1-13-11-26-8-9-31(13)19-5-4-17-22(30-19)32(15-6-7-27-18(10-15)20(24)25)21(29-17)16-3-2-14(23)12-28-16/h2-7,10,12-13,20,26H,8-9,11H2,1H3
InChIKeyKIQRIGCDDGUDQW-UHFFFAOYSA-N
MW439.45 g/mol
LogP3.75
Rot. Bonds4

About 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine

3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine (PubChem CID 169033264) has the molecular formula C22H20F3N7 and a molecular weight of 439.45 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
PubChem CID169033264
Molecular FormulaC22H20F3N7
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC Name3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
SMILESCC1CNCCN1c1ccc2nc(-c3ccc(F)cn3)n(-c3ccnc(C(F)F)c3)c2n1
InChIInChI=1S/C22H20F3N7/c1-13-11-26-8-9-31(13)19-5-4-17-22(30-19)32(15-6-7-27-18(10-15)20(24)25)21(29-17)16-3-2-14(23)12-28-16/h2-7,10,12-13,20,26H,8-9,11H2,1H3
InChIKeyKIQRIGCDDGUDQW-UHFFFAOYSA-N
XLogP3.75
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
CID 169033466
2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 174115816
2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
CID 71639508
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
CID 150243687
5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole
CID 121331070
2-(5-fluoro-2-pyridinyl)-3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654838

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine (CID 169033264) is 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine is CC1CNCCN1c1ccc2nc(-c3ccc(F)cn3)n(-c3ccnc(C(F)F)c3)c2n1.
What is the InChIKey of 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The InChIKey is KIQRIGCDDGUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7/c1-13-11-26-8-9-31(13)19-5-4-17-22(30-19)32(15-6-7-27-18(10-15)20(24)25)21(29-17)16-3-2-14(23)12-28-16/h2-7,10,12-13,20,26H,8-9,11H2,1H3.
What are the key properties of 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine has a molecular weight of 439.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 169033264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).