7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one

C23H24N4O2 — CID 123816023

IUPAC7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
SMILESCc1ccn2nc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4oc3=O)cc2c1
InChIInChI=1S/C23H24N4O2/c1-14-6-7-27-19(8-14)10-21(25-27)20-9-17-4-5-18(11-22(17)29-23(20)28)26-12-15(2)24-16(3)13-26/h4-11,15-16,24H,12-13H2,1-3H3
InChIKeyMHWBJXZVZDWWQK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.60
Rot. Bonds2

About 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one

7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one (PubChem CID 123816023) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
PubChem CID123816023
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
SMILESCc1ccn2nc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4oc3=O)cc2c1
InChIInChI=1S/C23H24N4O2/c1-14-6-7-27-19(8-14)10-21(25-27)20-9-17-4-5-18(11-22(17)29-23(20)28)26-12-15(2)24-16(3)13-26/h4-11,15-16,24H,12-13H2,1-3H3
InChIKeyMHWBJXZVZDWWQK-UHFFFAOYSA-N
XLogP3.60
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123210784
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
7-[(3S)-3,5-dimethylpiperazin-1-yl]-3-indolizin-2-ylchromen-2-one
CID 139430953
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
7-(3,5-dimethylpiperazin-1-yl)-3-pyrrolo[1,2-a]pyrimidin-7-ylchromen-2-one
CID 123896689
3-(4-chloro-1,3-benzothiazol-2-yl)-7-(3,5-dimethylpiperazin-1-yl)chromen-2-one
CID 78137032
7-(3-methylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 123296157
7-(3,5-dimethylpiperazin-1-yl)-3-(3-fluoro-8-methyl-8,9-dihydropyrimido[1,2-a]azepin-7-yl)chromen-2-one
CID 123750179
3-(1H-benzimidazol-2-yl)-7-(3-methylazetidin-1-yl)chromen-2-one
CID 157263798
3-(3,5-dimethoxyphenyl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123141054
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)chromen-2-one
CID 123619870

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one (CID 123816023) is 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one is Cc1ccn2nc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4oc3=O)cc2c1.
What is the InChIKey of 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
The InChIKey is MHWBJXZVZDWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-6-7-27-19(8-14)10-21(25-27)20-9-17-4-5-18(11-22(17)29-23(20)28)26-12-15(2)24-16(3)13-26/h4-11,15-16,24H,12-13H2,1-3H3.
What are the key properties of 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 123816023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).