7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H18N6O — CID 53040582

IUPAC7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cccnc2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C20H18N6O/c1-2-15-10-18(20(27)23-13-14-6-5-8-21-12-14)24-19-11-17(25-26(15)19)16-7-3-4-9-22-16/h3-12H,2,13H2,1H3,(H,23,27)
InChIKeyJFLCMIRJUWDRSG-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.68
Rot. Bonds5

About 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040582) has the molecular formula C20H18N6O and a molecular weight of 358.40 g/mol. Its IUPAC name is 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040582
Molecular FormulaC20H18N6O
Molecular Weight358.40 g/mol
Exact Mass358.15
IUPAC Name7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cccnc2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C20H18N6O/c1-2-15-10-18(20(27)23-13-14-6-5-8-21-12-14)24-19-11-17(25-26(15)19)16-7-3-4-9-22-16/h3-12H,2,13H2,1H3,(H,23,27)
InChIKeyJFLCMIRJUWDRSG-UHFFFAOYSA-N
XLogP2.68
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040582) is 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)NCc2cccnc2)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JFLCMIRJUWDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-15-10-18(20(27)23-13-14-6-5-8-21-12-14)24-19-11-17(25-26(15)19)16-7-3-4-9-22-16/h3-12H,2,13H2,1H3,(H,23,27).
What are the key properties of 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).