6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine

C16H17FN6 — CID 76753515

IUPAC6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine
SMILESCC1CNCC1Nc1cncc(-c2cnn3cc(F)ccc23)n1
InChIInChI=1S/C16H17FN6/c1-10-4-18-6-13(10)21-16-8-19-7-14(22-16)12-5-20-23-9-11(17)2-3-15(12)23/h2-3,5,7-10,13,18H,4,6H2,1H3,(H,21,22)
InChIKeyLEEGKQHLKGOOGX-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.95
Rot. Bonds3

About 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine

6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine (PubChem CID 76753515) has the molecular formula C16H17FN6 and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine
PubChem CID76753515
Molecular FormulaC16H17FN6
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine
SMILESCC1CNCC1Nc1cncc(-c2cnn3cc(F)ccc23)n1
InChIInChI=1S/C16H17FN6/c1-10-4-18-6-13(10)21-16-8-19-7-14(22-16)12-5-20-23-9-11(17)2-3-15(12)23/h2-3,5,7-10,13,18H,4,6H2,1H3,(H,21,22)
InChIKeyLEEGKQHLKGOOGX-UHFFFAOYSA-N
XLogP1.95
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine?
The IUPAC name of 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine (CID 76753515) is 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine?
The canonical SMILES for 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine is CC1CNCC1Nc1cncc(-c2cnn3cc(F)ccc23)n1.
What is the InChIKey of 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine?
The InChIKey is LEEGKQHLKGOOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6/c1-10-4-18-6-13(10)21-16-8-19-7-14(22-16)12-5-20-23-9-11(17)2-3-15(12)23/h2-3,5,7-10,13,18H,4,6H2,1H3,(H,21,22).
What are the key properties of 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine?
6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylpyrrolidin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 76753515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).