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

C21H23FN6O2 — CID 67501330

IUPAC5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1
InChIInChI=1S/C21H23FN6O2/c1-13-15(9-14(22)10-23-13)17-3-2-7-27(17)18-4-8-28-19(25-18)16(11-24-28)20(30)26-21(12-29)5-6-21/h4,8-11,17,29H,2-3,5-7,12H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyPZGCHNDBATUPDX-QGZVFWFLSA-N
MW410.45 g/mol
LogP2.17
Rot. Bonds5

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

5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501330) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501330
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1
InChIInChI=1S/C21H23FN6O2/c1-13-15(9-14(22)10-23-13)17-3-2-7-27(17)18-4-8-28-19(25-18)16(11-24-28)20(30)26-21(12-29)5-6-21/h4,8-11,17,29H,2-3,5-7,12H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyPZGCHNDBATUPDX-QGZVFWFLSA-N
XLogP2.17
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]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-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501330) is 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]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-(hydroxymethyl)cyclopropyl]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-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PZGCHNDBATUPDX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-15(9-14(22)10-23-13)17-3-2-7-27(17)18-4-8-28-19(25-18)16(11-24-28)20(30)26-21(12-29)5-6-21/h4,8-11,17,29H,2-3,5-7,12H2,1H3,(H,26,30)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).