6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine

C19H19F3N6O — CID 171505712

IUPAC6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
SMILESCOc1cn2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)c2nc1C1CC1
InChIInChI=1S/C19H19F3N6O/c1-29-15-8-28-19(27-16(15)9-2-3-9)10(5-24-28)17-11(20)4-12(21)18(26-17)25-14-7-23-6-13(14)22/h4-5,8-9,13-14,23H,2-3,6-7H2,1H3,(H,25,26)
InChIKeyAVIJDXYYKVJUSB-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.68
Rot. Bonds5

About 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine

6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine (PubChem CID 171505712) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
PubChem CID171505712
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
SMILESCOc1cn2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)c2nc1C1CC1
InChIInChI=1S/C19H19F3N6O/c1-29-15-8-28-19(27-16(15)9-2-3-9)10(5-24-28)17-11(20)4-12(21)18(26-17)25-14-7-23-6-13(14)22/h4-5,8-9,13-14,23H,2-3,6-7H2,1H3,(H,25,26)
InChIKeyAVIJDXYYKVJUSB-UHFFFAOYSA-N
XLogP2.68
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine (CID 171505712) is 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine is COc1cn2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)c2nc1C1CC1.
What is the InChIKey of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is AVIJDXYYKVJUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-29-15-8-28-19(27-16(15)9-2-3-9)10(5-24-28)17-11(20)4-12(21)18(26-17)25-14-7-23-6-13(14)22/h4-5,8-9,13-14,23H,2-3,6-7H2,1H3,(H,25,26).
What are the key properties of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 404.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 171505712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).