CID 58237741

C20H20ClN5O2 — CID 58237741

IUPAC—
SMILES[CH]c1nn(CC(=O)N2CCN(c3ccc(Cl)c(OC)c3)CC2)c2ncccc12
InChIInChI=1S/C20H20ClN5O2/c1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2/h1,3-7,12H,8-11,13H2,2H3
InChIKeyTXYQNCWCEZVECG-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.50
Rot. Bonds4

About CID 58237741

CID 58237741 (PubChem CID 58237741) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol.

Molecular Properties

Compound NameCID 58237741
PubChem CID58237741
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name—
SMILES[CH]c1nn(CC(=O)N2CCN(c3ccc(Cl)c(OC)c3)CC2)c2ncccc12
InChIInChI=1S/C20H20ClN5O2/c1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2/h1,3-7,12H,8-11,13H2,2H3
InChIKeyTXYQNCWCEZVECG-UHFFFAOYSA-N
XLogP2.50
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;methane
CID 160706203
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-fluoropyrazolo[5,4-b]pyridin-1-yl)ethanone;bis(1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone);1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 158914395
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-3-methyl-5-propan-2-ylpyrazol-1-yl)ethanone
CID 142843277
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778060
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 158237332
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 70829636
2-[5-(aminomethyl)-4-chloro-3-iodopyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 163998122
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[4,5-c]pyridin-1-yl)ethanone
CID 67103947
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
CID 142790163
2-[4-chloro-3-(1-hydroxypyridin-1-ium-4-yl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 135974478
2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine
CID 157162002

Frequently Asked Questions

What is the IUPAC name of CID 58237741?
The IUPAC name of CID 58237741 (CID 58237741) is not available.
What is the SMILES notation for CID 58237741?
The canonical SMILES for CID 58237741 is [CH]c1nn(CC(=O)N2CCN(c3ccc(Cl)c(OC)c3)CC2)c2ncccc12.
What is the InChIKey of CID 58237741?
The InChIKey is TXYQNCWCEZVECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-14-16-4-3-7-22-20(16)26(23-14)13-19(27)25-10-8-24(9-11-25)15-5-6-17(21)18(12-15)28-2/h1,3-7,12H,8-11,13H2,2H3.
What are the key properties of CID 58237741?
CID 58237741 has a molecular weight of 397.87 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58237741 is sourced from PubChem (CID 58237741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).