4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol

C22H20ClF3N10O3 — CID 167134667

IUPAC4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol
SMILESCNc1nccn2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)n(C6COCC6O)n5)n(C)c4c3Cl)c12
InChIInChI=1S/C22H20ClF3N10O3/c1-27-19-17-13(7-30-35(17)4-3-28-19)39-12-6-29-20-18(16(12)23)34(2)21(32-20)31-15-5-14(22(24,25)26)36(33-15)10-8-38-9-11(10)37/h3-7,10-11,37H,8-9H2,1-2H3,(H,27,28)(H,29,31,32,33)
InChIKeyGALOMXWKMQLILU-UHFFFAOYSA-N
MW564.92 g/mol
LogP3.39
Rot. Bonds6

About 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol

4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol (PubChem CID 167134667) has the molecular formula C22H20ClF3N10O3 and a molecular weight of 564.92 g/mol. Its IUPAC name is 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol
PubChem CID167134667
Molecular FormulaC22H20ClF3N10O3
Molecular Weight564.92 g/mol
Exact Mass564.14
IUPAC Name4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol
SMILESCNc1nccn2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)n(C6COCC6O)n5)n(C)c4c3Cl)c12
InChIInChI=1S/C22H20ClF3N10O3/c1-27-19-17-13(7-30-35(17)4-3-28-19)39-12-6-29-20-18(16(12)23)34(2)21(32-20)31-15-5-14(22(24,25)26)36(33-15)10-8-38-9-11(10)37/h3-7,10-11,37H,8-9H2,1-2H3,(H,27,28)(H,29,31,32,33)
InChIKeyGALOMXWKMQLILU-UHFFFAOYSA-N
XLogP3.39
TPSA141.47 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.92
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol?
The IUPAC name of 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol (CID 167134667) is 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol is CNc1nccn2ncc(Oc3cnc4nc(Nc5cc(C(F)(F)F)n(C6COCC6O)n5)n(C)c4c3Cl)c12.
What is the InChIKey of 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol?
The InChIKey is GALOMXWKMQLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N10O3/c1-27-19-17-13(7-30-35(17)4-3-28-19)39-12-6-29-20-18(16(12)23)34(2)21(32-20)31-15-5-14(22(24,25)26)36(33-15)10-8-38-9-11(10)37/h3-7,10-11,37H,8-9H2,1-2H3,(H,27,28)(H,29,31,32,33).
What are the key properties of 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol?
4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol has a molecular weight of 564.92 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)pyrazol-1-yl]oxolan-3-ol is sourced from PubChem (CID 167134667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).