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

C20H21FN6O — CID 66885374

IUPACN-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C20H21FN6O/c1-12-15(9-13(21)10-22-12)17-3-2-7-26(17)18-6-8-27-19(25-18)16(11-23-27)20(28)24-14-4-5-14/h6,8-11,14,17H,2-5,7H2,1H3,(H,24,28)
InChIKeyXCCJJNIKWGXTSP-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.81
Rot. Bonds4

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

N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66885374) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66885374
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C20H21FN6O/c1-12-15(9-13(21)10-22-12)17-3-2-7-26(17)18-6-8-27-19(25-18)16(11-23-27)20(28)24-14-4-5-14/h6,8-11,14,17H,2-5,7H2,1H3,(H,24,28)
InChIKeyXCCJJNIKWGXTSP-UHFFFAOYSA-N
XLogP2.81
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66885374) is N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XCCJJNIKWGXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-12-15(9-13(21)10-22-12)17-3-2-7-26(17)18-6-8-27-19(25-18)16(11-23-27)20(28)24-14-4-5-14/h6,8-11,14,17H,2-5,7H2,1H3,(H,24,28).
What are the key properties of N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66885374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).