5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H21N5O2 — CID 172655672

IUPAC5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CCCCCN1CCc1cc(=O)n2[nH]c(-c3cccnc3)cc2n1
InChIInChI=1S/C19H21N5O2/c25-18-6-2-1-3-9-23(18)10-7-15-11-19(26)24-17(21-15)12-16(22-24)14-5-4-8-20-13-14/h4-5,8,11-13,22H,1-3,6-7,9-10H2
InChIKeyDJTLVSPAZGXZRB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.03
Rot. Bonds4

About 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172655672) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172655672
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CCCCCN1CCc1cc(=O)n2[nH]c(-c3cccnc3)cc2n1
InChIInChI=1S/C19H21N5O2/c25-18-6-2-1-3-9-23(18)10-7-15-11-19(26)24-17(21-15)12-16(22-24)14-5-4-8-20-13-14/h4-5,8,11-13,22H,1-3,6-7,9-10H2
InChIKeyDJTLVSPAZGXZRB-UHFFFAOYSA-N
XLogP2.03
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-oxopiperidin-1-yl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172656577
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
5-[1-(2-oxopyrrolidin-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172668658
1-[2-[4-[(6-oxo-4-pyridin-3-ylpyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]azepan-2-one
CID 126943221
3-methyl-5-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666941
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 98134851
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]acetamide
CID 98134860
2-methyl-5-[[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95719565

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172655672) is 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C1CCCCCN1CCc1cc(=O)n2[nH]c(-c3cccnc3)cc2n1.
What is the InChIKey of 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DJTLVSPAZGXZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18-6-2-1-3-9-23(18)10-7-15-11-19(26)24-17(21-15)12-16(22-24)14-5-4-8-20-13-14/h4-5,8,11-13,22H,1-3,6-7,9-10H2.
What are the key properties of 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-oxoazepan-1-yl)ethyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172655672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).