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

C20H23FN6O2 — CID 67501570

IUPAC5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)O)c2n1
InChIInChI=1S/C20H23FN6O2/c1-12(28)9-23-20(29)16-11-24-27-7-5-18(25-19(16)27)26-6-3-4-17(26)15-8-14(21)10-22-13(15)2/h5,7-8,10-12,17,28H,3-4,6,9H2,1-2H3,(H,23,29)
InChIKeyKKTZVZNGYWEPCI-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.02
Rot. Bonds5

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

5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501570) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501570
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)O)c2n1
InChIInChI=1S/C20H23FN6O2/c1-12(28)9-23-20(29)16-11-24-27-7-5-18(25-19(16)27)26-6-3-4-17(26)15-8-14(21)10-22-13(15)2/h5,7-8,10-12,17,28H,3-4,6,9H2,1-2H3,(H,23,29)
InChIKeyKKTZVZNGYWEPCI-UHFFFAOYSA-N
XLogP2.02
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501570) is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)O)c2n1.
What is the InChIKey of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KKTZVZNGYWEPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-12(28)9-23-20(29)16-11-24-27-7-5-18(25-19(16)27)26-6-3-4-17(26)15-8-14(21)10-22-13(15)2/h5,7-8,10-12,17,28H,3-4,6,9H2,1-2H3,(H,23,29).
What are the key properties of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).