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

C23H21F2N9O — CID 134456476

IUPAC2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(C)nn3)nc3nc(C(F)F)[nH]c23)cccc1-c1ccn(C)n1
InChIInChI=1S/C23H21F2N9O/c1-12-7-8-17(32-31-12)27-18-11-16(19-22(28-18)30-23(29-19)21(24)25)26-15-6-4-5-13(20(15)35-3)14-9-10-34(2)33-14/h4-11,21H,1-3H3,(H3,26,27,28,29,30,32)
InChIKeyPAIPYPWJZSYSCH-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.89
Rot. Bonds7

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

2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456476) has the molecular formula C23H21F2N9O and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456476
Molecular FormulaC23H21F2N9O
Molecular Weight477.48 g/mol
Exact Mass477.18
IUPAC Name2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(C)nn3)nc3nc(C(F)F)[nH]c23)cccc1-c1ccn(C)n1
InChIInChI=1S/C23H21F2N9O/c1-12-7-8-17(32-31-12)27-18-11-16(19-22(28-18)30-23(29-19)21(24)25)26-15-6-4-5-13(20(15)35-3)14-9-10-34(2)33-14/h4-11,21H,1-3H3,(H3,26,27,28,29,30,32)
InChIKeyPAIPYPWJZSYSCH-UHFFFAOYSA-N
XLogP4.89
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456476) is 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc(C)nn3)nc3nc(C(F)F)[nH]c23)cccc1-c1ccn(C)n1.
What is the InChIKey of 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is PAIPYPWJZSYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N9O/c1-12-7-8-17(32-31-12)27-18-11-16(19-22(28-18)30-23(29-19)21(24)25)26-15-6-4-5-13(20(15)35-3)14-9-10-34(2)33-14/h4-11,21H,1-3H3,(H3,26,27,28,29,30,32).
What are the key properties of 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 477.48 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).