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

C16H17FN6O — CID 171505645

IUPACN-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
SMILESCOc1cnc2c(-c3cccc(NC4CNCC4F)n3)cnn2c1
InChIInChI=1S/C16H17FN6O/c1-24-10-5-19-16-11(6-20-23(16)9-10)13-3-2-4-15(21-13)22-14-8-18-7-12(14)17/h2-6,9,12,14,18H,7-8H2,1H3,(H,21,22)
InChIKeyKGMFTCTVOPTLIJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.52
Rot. Bonds4

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

N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine (PubChem CID 171505645) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
PubChem CID171505645
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
SMILESCOc1cnc2c(-c3cccc(NC4CNCC4F)n3)cnn2c1
InChIInChI=1S/C16H17FN6O/c1-24-10-5-19-16-11(6-20-23(16)9-10)13-3-2-4-15(21-13)22-14-8-18-7-12(14)17/h2-6,9,12,14,18H,7-8H2,1H3,(H,21,22)
InChIKeyKGMFTCTVOPTLIJ-UHFFFAOYSA-N
XLogP1.52
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine?
The IUPAC name of N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine (CID 171505645) is N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine?
The canonical SMILES for N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine is COc1cnc2c(-c3cccc(NC4CNCC4F)n3)cnn2c1.
What is the InChIKey of N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine?
The InChIKey is KGMFTCTVOPTLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-24-10-5-19-16-11(6-20-23(16)9-10)13-3-2-4-15(21-13)22-14-8-18-7-12(14)17/h2-6,9,12,14,18H,7-8H2,1H3,(H,21,22).
What are the key properties of N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine?
N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine has a molecular weight of 328.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 171505645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).