2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C26H27F2N9O2S — CID 134456126

IUPAC2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1ncc(Nc2cc(Nc3ccc(-c4c(C)nn(C)c4C)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C
InChIInChI=1S/C26H27F2N9O2S/c1-12-13(2)30-21(11-29-12)32-20-10-18(23-25(33-20)35-26(34-23)24(27)28)31-17-8-7-16(9-19(17)40(6,38)39)22-14(3)36-37(5)15(22)4/h7-11,24H,1-6H3,(H3,30,31,32,33,34,35)
InChIKeyWRQHWMXVPQCASL-UHFFFAOYSA-N
MW567.63 g/mol
LogP5.21
Rot. Bonds7

About 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456126) has the molecular formula C26H27F2N9O2S and a molecular weight of 567.63 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456126
Molecular FormulaC26H27F2N9O2S
Molecular Weight567.63 g/mol
Exact Mass567.20
IUPAC Name2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1ncc(Nc2cc(Nc3ccc(-c4c(C)nn(C)c4C)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C
InChIInChI=1S/C26H27F2N9O2S/c1-12-13(2)30-21(11-29-12)32-20-10-18(23-25(33-20)35-26(34-23)24(27)28)31-17-8-7-16(9-19(17)40(6,38)39)22-14(3)36-37(5)15(22)4/h7-11,24H,1-6H3,(H3,30,31,32,33,34,35)
InChIKeyWRQHWMXVPQCASL-UHFFFAOYSA-N
XLogP5.21
TPSA143.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.63
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-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)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456126) is 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1ncc(Nc2cc(Nc3ccc(-c4c(C)nn(C)c4C)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C.
What is the InChIKey of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is WRQHWMXVPQCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N9O2S/c1-12-13(2)30-21(11-29-12)32-20-10-18(23-25(33-20)35-26(34-23)24(27)28)31-17-8-7-16(9-19(17)40(6,38)39)22-14(3)36-37(5)15(22)4/h7-11,24H,1-6H3,(H3,30,31,32,33,34,35).
What are the key properties of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 567.63 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).