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

C22H22N4O2 — CID 123711005

IUPAC7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
SMILESCc1ccn2nc(-c3cc4ccc(N5CCNC(C)C5)cc4oc3=O)cc2c1
InChIInChI=1S/C22H22N4O2/c1-14-5-7-26-18(9-14)11-20(24-26)19-10-16-3-4-17(12-21(16)28-22(19)27)25-8-6-23-15(2)13-25/h3-5,7,9-12,15,23H,6,8,13H2,1-2H3
InChIKeyBXPMKNFBZJPDFW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds2

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

7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one (PubChem CID 123711005) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
PubChem CID123711005
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
SMILESCc1ccn2nc(-c3cc4ccc(N5CCNC(C)C5)cc4oc3=O)cc2c1
InChIInChI=1S/C22H22N4O2/c1-14-5-7-26-18(9-14)11-20(24-26)19-10-16-3-4-17(12-21(16)28-22(19)27)25-8-6-23-15(2)13-25/h3-5,7,9-12,15,23H,6,8,13H2,1-2H3
InChIKeyBXPMKNFBZJPDFW-UHFFFAOYSA-N
XLogP3.21
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
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

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
3-(1,3-Dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-piperazin-1-ylchromen-2-one
CID 89656883
N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146641578
(E)-N-[2-(dimethylamino)ethyl]-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2475487
Ethyl 3-cyano-5-methyl-4-(3-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791605
(R)-4-((4-cyano-3-methoxy-phenyl)amino)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704341
2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 5156842
3-(aminomethyl)-5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 22179547
3-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one
CID 155566827
N-{[2-(2-Methylphenoxy)pyridin-3-YL]methyl}pyrazolo[1,5-A]pyridine-3-carboxamide
CID 56743457
3-[5-(4-Dimethylaminophenyl)-2-(pyridine-4-carbonyl)pyrazol-3-yl]chromen-2-one
CID 44196706
[5-(7-Carbamoylindazol-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]phenyl] 2,2,2-trifluoroacetate
CID 57502647

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one (CID 123711005) is 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one is Cc1ccn2nc(-c3cc4ccc(N5CCNC(C)C5)cc4oc3=O)cc2c1.
What is the InChIKey of 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
The InChIKey is BXPMKNFBZJPDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-5-7-26-18(9-14)11-20(24-26)19-10-16-3-4-17(12-21(16)28-22(19)27)25-8-6-23-15(2)13-25/h3-5,7,9-12,15,23H,6,8,13H2,1-2H3.
What are the key properties of 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one?
7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 123711005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).