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

C30H35F2N11O3 — CID 134455396

IUPAC2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C)n3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1
InChIInChI=1S/C30H35F2N11O3/c1-16-25(30(2,3)45-6)33-15-21(34-16)36-20-14-19(35-18-11-9-10-17(24(18)44-5)27-39-41-42(4)40-27)23-28(37-20)43(29(38-23)26(31)32)22-12-7-8-13-46-22/h9-11,14-15,22,26H,7-8,12-13H2,1-6H3,(H2,34,35,36,37)
InChIKeyDHAHELMRLPDDAR-UHFFFAOYSA-N
MW635.68 g/mol
LogP5.73
Rot. Bonds10

About 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-3-(oxan-2-yl)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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455396) has the molecular formula C30H35F2N11O3 and a molecular weight of 635.68 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]-3-(oxan-2-yl)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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455396
Molecular FormulaC30H35F2N11O3
Molecular Weight635.68 g/mol
Exact Mass635.29
IUPAC Name2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C)n3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1
InChIInChI=1S/C30H35F2N11O3/c1-16-25(30(2,3)45-6)33-15-21(34-16)36-20-14-19(35-18-11-9-10-17(24(18)44-5)27-39-41-42(4)40-27)23-28(37-20)43(29(38-23)26(31)32)22-12-7-8-13-46-22/h9-11,14-15,22,26H,7-8,12-13H2,1-6H3,(H2,34,35,36,37)
InChIKeyDHAHELMRLPDDAR-UHFFFAOYSA-N
XLogP5.73
TPSA151.84 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500635.68
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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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]-3-(oxan-2-yl)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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (CID 134455396) is 2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-3-(oxan-2-yl)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]-3-(oxan-2-yl)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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C)n3)nc3c2nc(C(F)F)n3C2CCCCO2)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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is DHAHELMRLPDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N11O3/c1-16-25(30(2,3)45-6)33-15-21(34-16)36-20-14-19(35-18-11-9-10-17(24(18)44-5)27-39-41-42(4)40-27)23-28(37-20)43(29(38-23)26(31)32)22-12-7-8-13-46-22/h9-11,14-15,22,26H,7-8,12-13H2,1-6H3,(H2,34,35,36,37).
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]-3-(oxan-2-yl)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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 635.68 g/mol, XLogP of 5.73, 10 rotatable bonds, 2 hydrogen bond donors, and 14 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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).