N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine

C22H18F3N7 — CID 138522379

IUPACN-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine
SMILESCc1nc2ncc(-n3ccc4ncc(NCC(F)F)nc43)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C22H18F3N7/c1-13-29-21-18(32(13)12-14-3-2-4-15(23)7-14)8-16(9-28-21)31-6-5-17-22(31)30-20(11-26-17)27-10-19(24)25/h2-9,11,19H,10,12H2,1H3,(H,27,30)
InChIKeyXHOOVQFVUPFWNT-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.34
Rot. Bonds6

About N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine

N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine (PubChem CID 138522379) has the molecular formula C22H18F3N7 and a molecular weight of 437.43 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine
PubChem CID138522379
Molecular FormulaC22H18F3N7
Molecular Weight437.43 g/mol
Exact Mass437.16
IUPAC NameN-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine
SMILESCc1nc2ncc(-n3ccc4ncc(NCC(F)F)nc43)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C22H18F3N7/c1-13-29-21-18(32(13)12-14-3-2-4-15(23)7-14)8-16(9-28-21)31-6-5-17-22(31)30-20(11-26-17)27-10-19(24)25/h2-9,11,19H,10,12H2,1H3,(H,27,30)
InChIKeyXHOOVQFVUPFWNT-UHFFFAOYSA-N
XLogP4.34
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine
CID 138522363
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
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
1-[(3,5-difluorophenyl)methyl]-2-methoxy-6-pyrrolo[2,3-b]pyrazin-5-ylimidazo[4,5-b]pyridine
CID 138522284
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
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methylimidazo[4,5-b]pyridine
CID 138522486
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522314
1-[(3,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
CID 138522407
[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol
CID 138522215
3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79300822

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine?
The IUPAC name of 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) is N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine is Cc1nc2ncc(-n3ccc4ncc(NCC(F)F)nc43)cc2n1Cc1cccc(F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine?
The InChIKey is XHOOVQFVUPFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7/c1-13-29-21-18(32(13)12-14-3-2-4-15(23)7-14)8-16(9-28-21)31-6-5-17-22(31)30-20(11-26-17)27-10-19(24)25/h2-9,11,19H,10,12H2,1H3,(H,27,30).
What are the key properties of N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine?
N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine has a molecular weight of 437.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 138522379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).