3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one

C31H24ClF4N7O3 — CID 164559244

IUPAC3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C(F)(F)F)cn(C3CC(OCc4ccccc4)C3)c2=O)nc2ncc(Oc3cnn4cccc(F)c34)c(Cl)c21
InChIInChI=1S/C31H24ClF4N7O3/c1-41-27-25(32)23(46-24-14-38-43-9-5-8-21(33)26(24)43)13-37-28(27)40-30(41)39-22-10-18(31(34,35)36)15-42(29(22)44)19-11-20(12-19)45-16-17-6-3-2-4-7-17/h2-10,13-15,19-20H,11-12,16H2,1H3,(H,37,39,40)
InChIKeyMIZTUXNORBWRJO-UHFFFAOYSA-N
MW654.02 g/mol
LogP7.05
Rot. Bonds8

About 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one

3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164559244) has the molecular formula C31H24ClF4N7O3 and a molecular weight of 654.02 g/mol. Its IUPAC name is 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID164559244
Molecular FormulaC31H24ClF4N7O3
Molecular Weight654.02 g/mol
Exact Mass653.16
IUPAC Name3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C(F)(F)F)cn(C3CC(OCc4ccccc4)C3)c2=O)nc2ncc(Oc3cnn4cccc(F)c34)c(Cl)c21
InChIInChI=1S/C31H24ClF4N7O3/c1-41-27-25(32)23(46-24-14-38-43-9-5-8-21(33)26(24)43)13-37-28(27)40-30(41)39-22-10-18(31(34,35)36)15-42(29(22)44)19-11-20(12-19)45-16-17-6-3-2-4-7-17/h2-10,13-15,19-20H,11-12,16H2,1H3,(H,37,39,40)
InChIKeyMIZTUXNORBWRJO-UHFFFAOYSA-N
XLogP7.05
TPSA100.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.02
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one (CID 164559244) is 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one is Cn1c(Nc2cc(C(F)(F)F)cn(C3CC(OCc4ccccc4)C3)c2=O)nc2ncc(Oc3cnn4cccc(F)c34)c(Cl)c21.
What is the InChIKey of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MIZTUXNORBWRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClF4N7O3/c1-41-27-25(32)23(46-24-14-38-43-9-5-8-21(33)26(24)43)13-37-28(27)40-30(41)39-22-10-18(31(34,35)36)15-42(29(22)44)19-11-20(12-19)45-16-17-6-3-2-4-7-17/h2-10,13-15,19-20H,11-12,16H2,1H3,(H,37,39,40).
What are the key properties of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one?
3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 654.02 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164559244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).