4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

C17H21N7O2 — CID 97388974

IUPAC4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
SMILESCCc1cnc(N2CCc3[nH]nc(C(=O)N4CCNC(=O)C4)c3C2)nc1
InChIInChI=1S/C17H21N7O2/c1-2-11-7-19-17(20-8-11)24-5-3-13-12(9-24)15(22-21-13)16(26)23-6-4-18-14(25)10-23/h7-8H,2-6,9-10H2,1H3,(H,18,25)(H,21,22)
InChIKeyIXNJCSCMHQYRHP-UHFFFAOYSA-N
MW355.40 g/mol
LogP-0.10
Rot. Bonds3

About 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 97388974) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
PubChem CID97388974
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
SMILESCCc1cnc(N2CCc3[nH]nc(C(=O)N4CCNC(=O)C4)c3C2)nc1
InChIInChI=1S/C17H21N7O2/c1-2-11-7-19-17(20-8-11)24-5-3-13-12(9-24)15(22-21-13)16(26)23-6-4-18-14(25)10-23/h7-8H,2-6,9-10H2,1H3,(H,18,25)(H,21,22)
InChIKeyIXNJCSCMHQYRHP-UHFFFAOYSA-N
XLogP-0.10
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-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

4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
CID 134075976
4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 97461885
4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 118777448
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110388861
4-(5-hydroxypyrimidin-2-yl)piperazin-2-one
CID 170608723
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-2-one
CID 30887321
1-[3-(4-ethylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
CID 46076021
4-[(2S)-2-aminobutanoyl]piperazin-2-one
CID 79025324
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
CID 110090146

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 97388974) is 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is CCc1cnc(N2CCc3[nH]nc(C(=O)N4CCNC(=O)C4)c3C2)nc1.
What is the InChIKey of 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is IXNJCSCMHQYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-2-11-7-19-17(20-8-11)24-5-3-13-12(9-24)15(22-21-13)16(26)23-6-4-18-14(25)10-23/h7-8H,2-6,9-10H2,1H3,(H,18,25)(H,21,22).
What are the key properties of 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 355.40 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-ethylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 97388974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).