2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H27F2N11O2 — CID 134455393

IUPAC2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C25H27F2N11O2/c1-12-20(25(2,3)40-6)28-11-17(29-12)31-16-10-15(18-23(32-16)34-24(33-18)21(26)27)30-14-9-7-8-13(19(14)39-5)22-35-37-38(4)36-22/h7-11,21H,1-6H3,(H3,29,30,31,32,33,34)
InChIKeyHLEFGIGOOUNZDG-UHFFFAOYSA-N
MW551.56 g/mol
LogP4.56
Rot. Bonds9

About 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455393) has the molecular formula C25H27F2N11O2 and a molecular weight of 551.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455393
Molecular FormulaC25H27F2N11O2
Molecular Weight551.56 g/mol
Exact Mass551.23
IUPAC Name2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C25H27F2N11O2/c1-12-20(25(2,3)40-6)28-11-17(29-12)31-16-10-15(18-23(32-16)34-24(33-18)21(26)27)30-14-9-7-8-13(19(14)39-5)22-35-37-38(4)36-22/h7-11,21H,1-6H3,(H3,29,30,31,32,33,34)
InChIKeyHLEFGIGOOUNZDG-UHFFFAOYSA-N
XLogP4.56
TPSA153.47 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.56
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455393) is 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.
What is the InChIKey of 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is HLEFGIGOOUNZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N11O2/c1-12-20(25(2,3)40-6)28-11-17(29-12)31-16-10-15(18-23(32-16)34-24(33-18)21(26)27)30-14-9-7-8-13(19(14)39-5)22-35-37-38(4)36-22/h7-11,21H,1-6H3,(H3,29,30,31,32,33,34).
What are the key properties of 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 551.56 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).