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

C21H23FN6O — CID 68913488

IUPACN-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C21H23FN6O/c1-2-17-15(10-13(22)11-23-17)18-4-3-8-27(18)19-7-9-28-20(26-19)16(12-24-28)21(29)25-14-5-6-14/h7,9-12,14,18H,2-6,8H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyHNJJBTOZBLOWTO-GOSISDBHSA-N
MW394.45 g/mol
LogP3.06
Rot. Bonds5

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

N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68913488) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68913488
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC NameN-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C21H23FN6O/c1-2-17-15(10-13(22)11-23-17)18-4-3-8-27(18)19-7-9-28-20(26-19)16(12-24-28)21(29)25-14-5-6-14/h7,9-12,14,18H,2-6,8H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyHNJJBTOZBLOWTO-GOSISDBHSA-N
XLogP3.06
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68913488) is N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HNJJBTOZBLOWTO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-2-17-15(10-13(22)11-23-17)18-4-3-8-27(18)19-7-9-28-20(26-19)16(12-24-28)21(29)25-14-5-6-14/h7,9-12,14,18H,2-6,8H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68913488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).