3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one

C29H24ClF3N8O4 — CID 167134573

IUPAC3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(Cn2nc(OC)c3cc(Oc4cnc5nc(Nc6cc(C(F)(F)F)cn(C)c6=O)n(C)c5c4Cl)cnc32)cc1
InChIInChI=1S/C29H24ClF3N8O4/c1-39-14-16(29(31,32)33)9-20(27(39)42)36-28-37-24-23(40(28)2)22(30)21(12-34-24)45-18-10-19-25(35-11-18)41(38-26(19)44-4)13-15-5-7-17(43-3)8-6-15/h5-12,14H,13H2,1-4H3,(H,34,36,37)
InChIKeyGHWLSRZOBKGNPM-UHFFFAOYSA-N
MW641.01 g/mol
LogP5.69
Rot. Bonds8

About 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 167134573) has the molecular formula C29H24ClF3N8O4 and a molecular weight of 641.01 g/mol. Its IUPAC name is 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID167134573
Molecular FormulaC29H24ClF3N8O4
Molecular Weight641.01 g/mol
Exact Mass640.16
IUPAC Name3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(Cn2nc(OC)c3cc(Oc4cnc5nc(Nc6cc(C(F)(F)F)cn(C)c6=O)n(C)c5c4Cl)cnc32)cc1
InChIInChI=1S/C29H24ClF3N8O4/c1-39-14-16(29(31,32)33)9-20(27(39)42)36-28-37-24-23(40(28)2)22(30)21(12-34-24)45-18-10-19-25(35-11-18)41(38-26(19)44-4)13-15-5-7-17(43-3)8-6-15/h5-12,14H,13H2,1-4H3,(H,34,36,37)
InChIKeyGHWLSRZOBKGNPM-UHFFFAOYSA-N
XLogP5.69
TPSA123.14 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500641.01
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 167134573) is 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one is COc1ccc(Cn2nc(OC)c3cc(Oc4cnc5nc(Nc6cc(C(F)(F)F)cn(C)c6=O)n(C)c5c4Cl)cnc32)cc1.
What is the InChIKey of 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is GHWLSRZOBKGNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N8O4/c1-39-14-16(29(31,32)33)9-20(27(39)42)36-28-37-24-23(40(28)2)22(30)21(12-34-24)45-18-10-19-25(35-11-18)41(38-26(19)44-4)13-15-5-7-17(43-3)8-6-15/h5-12,14H,13H2,1-4H3,(H,34,36,37).
What are the key properties of 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 641.01 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 167134573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).