6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C24H19F2N9O — CID 134455643

IUPAC6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1ccn(C)n1
InChIInChI=1S/C24H19F2N9O/c1-35-10-9-15(34-35)14-6-4-7-16(21(14)36-2)29-17-11-19(30-18-8-3-5-13(12-27)28-18)31-23-20(17)32-24(33-23)22(25)26/h3-11,22H,1-2H3,(H3,28,29,30,31,32,33)
InChIKeyHKIQWWYDVRKBBP-UHFFFAOYSA-N
MW487.47 g/mol
LogP5.06
Rot. Bonds7

About 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455643) has the molecular formula C24H19F2N9O and a molecular weight of 487.47 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455643
Molecular FormulaC24H19F2N9O
Molecular Weight487.47 g/mol
Exact Mass487.17
IUPAC Name6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1ccn(C)n1
InChIInChI=1S/C24H19F2N9O/c1-35-10-9-15(34-35)14-6-4-7-16(21(14)36-2)29-17-11-19(30-18-8-3-5-13(12-27)28-18)31-23-20(17)32-24(33-23)22(25)26/h3-11,22H,1-2H3,(H3,28,29,30,31,32,33)
InChIKeyHKIQWWYDVRKBBP-UHFFFAOYSA-N
XLogP5.06
TPSA129.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.47
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455643) is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is COc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1ccn(C)n1.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is HKIQWWYDVRKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N9O/c1-35-10-9-15(34-35)14-6-4-7-16(21(14)36-2)29-17-11-19(30-18-8-3-5-13(12-27)28-18)31-23-20(17)32-24(33-23)22(25)26/h3-11,22H,1-2H3,(H3,28,29,30,31,32,33).
What are the key properties of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 487.47 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).