5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17FN6O — CID 67502822

IUPAC5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1
InChIInChI=1S/C17H17FN6O/c1-10-12(7-11(18)8-20-10)14-3-2-5-23(14)15-4-6-24-17(22-15)13(9-21-24)16(19)25/h4,6-9,14H,2-3,5H2,1H3,(H2,19,25)
InChIKeyZOAPGXAKZWJIHN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.01
Rot. Bonds3

About 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67502822) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67502822
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1
InChIInChI=1S/C17H17FN6O/c1-10-12(7-11(18)8-20-10)14-3-2-5-23(14)15-4-6-24-17(22-15)13(9-21-24)16(19)25/h4,6-9,14H,2-3,5H2,1H3,(H2,19,25)
InChIKeyZOAPGXAKZWJIHN-UHFFFAOYSA-N
XLogP2.01
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67502822) is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1.
What is the InChIKey of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZOAPGXAKZWJIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-10-12(7-11(18)8-20-10)14-3-2-5-23(14)15-4-6-24-17(22-15)13(9-21-24)16(19)25/h4,6-9,14H,2-3,5H2,1H3,(H2,19,25).
What are the key properties of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67502822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).