5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25FN6O3 — CID 67500360

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1
InChIInChI=1S/C21H25FN6O3/c1-31-21-15(11-14(22)12-24-21)17-5-4-8-27(17)18-6-9-28-19(26-18)16(13-25-28)20(30)23-7-2-3-10-29/h6,9,11-13,17,29H,2-5,7-8,10H2,1H3,(H,23,30)/t17-/m1/s1
InChIKeyAOJMWGVTAHSRAA-QGZVFWFLSA-N
MW428.47 g/mol
LogP2.12
Rot. Bonds8

About 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500360) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500360
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1
InChIInChI=1S/C21H25FN6O3/c1-31-21-15(11-14(22)12-24-21)17-5-4-8-27(17)18-6-9-28-19(26-18)16(13-25-28)20(30)23-7-2-3-10-29/h6,9,11-13,17,29H,2-5,7-8,10H2,1H3,(H,23,30)/t17-/m1/s1
InChIKeyAOJMWGVTAHSRAA-QGZVFWFLSA-N
XLogP2.12
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500360) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AOJMWGVTAHSRAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-31-21-15(11-14(22)12-24-21)17-5-4-8-27(17)18-6-9-28-19(26-18)16(13-25-28)20(30)23-7-2-3-10-29/h6,9,11-13,17,29H,2-5,7-8,10H2,1H3,(H,23,30)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxybutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).