5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19FN6O2 — CID 157038617

IUPAC5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccco2)nn2ccc(N3CCN(CCF)CC3)nc12
InChIInChI=1S/C17H19FN6O2/c18-4-6-22-7-9-23(10-8-22)13-3-5-24-17(20-13)14(16(19)25)15(21-24)12-2-1-11-26-12/h1-3,5,11H,4,6-10H2,(H2,19,25)
InChIKeyRTCMQFPJTYMDBH-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.18
Rot. Bonds5

About 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157038617) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157038617
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccco2)nn2ccc(N3CCN(CCF)CC3)nc12
InChIInChI=1S/C17H19FN6O2/c18-4-6-22-7-9-23(10-8-22)13-3-5-24-17(20-13)14(16(19)25)15(21-24)12-2-1-11-26-12/h1-3,5,11H,4,6-10H2,(H2,19,25)
InChIKeyRTCMQFPJTYMDBH-UHFFFAOYSA-N
XLogP1.18
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157038617) is 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(-c2ccco2)nn2ccc(N3CCN(CCF)CC3)nc12.
What is the InChIKey of 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RTCMQFPJTYMDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-4-6-22-7-9-23(10-8-22)13-3-5-24-17(20-13)14(16(19)25)15(21-24)12-2-1-11-26-12/h1-3,5,11H,4,6-10H2,(H2,19,25).
What are the key properties of 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157038617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).