1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine

C24H18F2N8 — CID 138522363

IUPAC1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-n3ccc4ncc(-c5ccn(C)n5)nc43)cc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H18F2N8/c1-14-29-23-22(34(14)13-15-7-16(25)9-17(26)8-15)10-18(11-28-23)33-6-4-20-24(33)30-21(12-27-20)19-3-5-32(2)31-19/h3-12H,13H2,1-2H3
InChIKeyBBWZFYNTDZUAGL-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.20
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine

1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine (PubChem CID 138522363) has the molecular formula C24H18F2N8 and a molecular weight of 456.46 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine
PubChem CID138522363
Molecular FormulaC24H18F2N8
Molecular Weight456.46 g/mol
Exact Mass456.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-n3ccc4ncc(-c5ccn(C)n5)nc43)cc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H18F2N8/c1-14-29-23-22(34(14)13-15-7-16(25)9-17(26)8-15)10-18(11-28-23)33-6-4-20-24(33)30-21(12-27-20)19-3-5-32(2)31-19/h3-12H,13H2,1-2H3
InChIKeyBBWZFYNTDZUAGL-UHFFFAOYSA-N
XLogP4.20
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-(difluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl]-1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522329
4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 138522562
4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]-2,2-dimethylbutanoic acid
CID 172743830
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methylimidazo[4,5-b]pyridine
CID 138522486
1-[(3,5-difluorophenyl)methyl]-2-methoxy-6-pyrrolo[2,3-b]pyrazin-5-ylimidazo[4,5-b]pyridine
CID 138522284
N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine
CID 138522379
5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 138522213
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine
CID 138522296
1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine
CID 138522262
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine
CID 138522259
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522314
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine (CID 138522363) is 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine is Cc1nc2ncc(-n3ccc4ncc(-c5ccn(C)n5)nc43)cc2n1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine?
The InChIKey is BBWZFYNTDZUAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N8/c1-14-29-23-22(34(14)13-15-7-16(25)9-17(26)8-15)10-18(11-28-23)33-6-4-20-24(33)30-21(12-27-20)19-3-5-32(2)31-19/h3-12H,13H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine?
1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine has a molecular weight of 456.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 138522363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).