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

C21H21FN8O2 — CID 67502494

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1
InChIInChI=1S/C21H21FN8O2/c1-28-8-5-17(27-28)25-20(31)15-12-24-30-9-6-18(26-19(15)30)29-7-3-4-16(29)14-10-13(22)11-23-21(14)32-2/h5-6,8-12,16H,3-4,7H2,1-2H3,(H,25,27,31)/t16-/m1/s1
InChIKeySPBLOIGTOGQHKL-MRXNPFEDSA-N
MW436.45 g/mol
LogP2.60
Rot. Bonds5

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

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67502494) has the molecular formula C21H21FN8O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67502494
Molecular FormulaC21H21FN8O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1
InChIInChI=1S/C21H21FN8O2/c1-28-8-5-17(27-28)25-20(31)15-12-24-30-9-6-18(26-19(15)30)29-7-3-4-16(29)14-10-13(22)11-23-21(14)32-2/h5-6,8-12,16H,3-4,7H2,1-2H3,(H,25,27,31)/t16-/m1/s1
InChIKeySPBLOIGTOGQHKL-MRXNPFEDSA-N
XLogP2.60
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67502494) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)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-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPBLOIGTOGQHKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21FN8O2/c1-28-8-5-17(27-28)25-20(31)15-12-24-30-9-6-18(26-19(15)30)29-7-3-4-16(29)14-10-13(22)11-23-21(14)32-2/h5-6,8-12,16H,3-4,7H2,1-2H3,(H,25,27,31)/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67502494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).