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

C21H23FN6O — CID 67500247

IUPAC5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1
InChIInChI=1S/C21H23FN6O/c1-13-15(10-14(22)11-23-13)17-4-3-8-27(17)18-5-9-28-19(25-18)16(12-24-28)20(29)26-21(2)6-7-21/h5,9-12,17H,3-4,6-8H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyOXVCBPXLNVQEGM-QGZVFWFLSA-N
MW394.45 g/mol
LogP3.20
Rot. Bonds4

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

5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500247) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500247
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1
InChIInChI=1S/C21H23FN6O/c1-13-15(10-14(22)11-23-13)17-4-3-8-27(17)18-5-9-28-19(25-18)16(12-24-28)20(29)26-21(2)6-7-21/h5,9-12,17H,3-4,6-8H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyOXVCBPXLNVQEGM-QGZVFWFLSA-N
XLogP3.20
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500249
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502090
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501570
5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501208
ethyl 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86664567
4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol
CID 129075357
5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68914782
ethyl 5-[2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 123667329
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501484
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500752
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67471053

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500247) is 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OXVCBPXLNVQEGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-13-15(10-14(22)11-23-13)17-4-3-8-27(17)18-5-9-28-19(25-18)16(12-24-28)20(29)26-21(2)6-7-21/h5,9-12,17H,3-4,6-8H2,1-2H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).