7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine

C25H22ClF3N8O — CID 164560170

IUPAC7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
SMILESCN1CCC[C@H]1c1cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22ClF3N8O/c1-35-6-3-4-17(35)14-8-15(25(27,28)29)10-16(9-14)33-24-34-23-22(36(24)2)21(26)20(12-31-23)38-19-13-32-37-7-5-30-11-18(19)37/h5,7-13,17H,3-4,6H2,1-2H3,(H,31,33,34)/t17-/m0/s1
InChIKeyNYSAOSXLVAJQAK-KRWDZBQOSA-N
MW542.95 g/mol
LogP5.99
Rot. Bonds5

About 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine

7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 164560170) has the molecular formula C25H22ClF3N8O and a molecular weight of 542.95 g/mol. Its IUPAC name is 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
PubChem CID164560170
Molecular FormulaC25H22ClF3N8O
Molecular Weight542.95 g/mol
Exact Mass542.16
IUPAC Name7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
SMILESCN1CCC[C@H]1c1cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22ClF3N8O/c1-35-6-3-4-17(35)14-8-15(25(27,28)29)10-16(9-14)33-24-34-23-22(36(24)2)21(26)20(12-31-23)38-19-13-32-37-7-5-30-11-18(19)37/h5,7-13,17H,3-4,6H2,1-2H3,(H,31,33,34)/t17-/m0/s1
InChIKeyNYSAOSXLVAJQAK-KRWDZBQOSA-N
XLogP5.99
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.95
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine with MolForge

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Related Compounds

7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
CID 164559415
7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
CID 164559559
3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-2-one
CID 164559877
7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 164559279
5-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 164560198
7-chloro-N-[3-[(3-methoxypyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1-methyl-6-[6-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-amine
CID 164558916
3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol
CID 164558531
7-chloro-N-[3-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-amine
CID 164558621
7-chloro-1-methyl-N-[3-[1-(2-morpholin-4-ylethylamino)ethyl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridin-2-amine
CID 164560393
1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one
CID 164560177
N-[3-[7-chloro-2-[3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-5-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
CID 167134709
3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558772

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (CID 164560170) is 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is CN1CCC[C@H]1c1cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)cc(C(F)(F)F)c1.
What is the InChIKey of 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
The InChIKey is NYSAOSXLVAJQAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H22ClF3N8O/c1-35-6-3-4-17(35)14-8-15(25(27,28)29)10-16(9-14)33-24-34-23-22(36(24)2)21(26)20(12-31-23)38-19-13-32-37-7-5-30-11-18(19)37/h5,7-13,17H,3-4,6H2,1-2H3,(H,31,33,34)/t17-/m0/s1.
What are the key properties of 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 542.95 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164560170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).