5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine

C22H23F2N7O2 — CID 164605956

IUPAC5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2cc3cc(-c4c(O[C@@H]5CN[C@H](C(F)F)C5)noc4C)ccn3n2)nc(C)n1
InChIInChI=1S/C22H23F2N7O2/c1-11-6-18(27-13(3)26-11)28-19-8-15-7-14(4-5-31(15)29-19)20-12(2)33-30-22(20)32-16-9-17(21(23)24)25-10-16/h4-8,16-17,21,25H,9-10H2,1-3H3,(H,26,27,28,29)/t16-,17-/m0/s1
InChIKeyHHQBWPAOMTWHCW-IRXDYDNUSA-N
MW455.47 g/mol
LogP3.82
Rot. Bonds6

About 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine

5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine (PubChem CID 164605956) has the molecular formula C22H23F2N7O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine
PubChem CID164605956
Molecular FormulaC22H23F2N7O2
Molecular Weight455.47 g/mol
Exact Mass455.19
IUPAC Name5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2cc3cc(-c4c(O[C@@H]5CN[C@H](C(F)F)C5)noc4C)ccn3n2)nc(C)n1
InChIInChI=1S/C22H23F2N7O2/c1-11-6-18(27-13(3)26-11)28-19-8-15-7-14(4-5-31(15)29-19)20-12(2)33-30-22(20)32-16-9-17(21(23)24)25-10-16/h4-8,16-17,21,25H,9-10H2,1-3H3,(H,26,27,28,29)/t16-,17-/m0/s1
InChIKeyHHQBWPAOMTWHCW-IRXDYDNUSA-N
XLogP3.82
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine (CID 164605956) is 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine is Cc1cc(Nc2cc3cc(-c4c(O[C@@H]5CN[C@H](C(F)F)C5)noc4C)ccn3n2)nc(C)n1.
What is the InChIKey of 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?
The InChIKey is HHQBWPAOMTWHCW-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H23F2N7O2/c1-11-6-18(27-13(3)26-11)28-19-8-15-7-14(4-5-31(15)29-19)20-12(2)33-30-22(20)32-16-9-17(21(23)24)25-10-16/h4-8,16-17,21,25H,9-10H2,1-3H3,(H,26,27,28,29)/t16-,17-/m0/s1.
What are the key properties of 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?
5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 455.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S,5S)-5-(difluoromethyl)pyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 164605956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).