2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C24H20ClN5O2 — CID 53299034

IUPAC2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(Cc3cc(=O)n4ccccc4n3)c21
InChIInChI=1S/C24H20ClN5O2/c1-14-11-21(31)29(13-17-12-22(32)28-10-5-4-9-20(28)26-17)24-23(14)16(3)27-30(24)19-8-6-7-18(25)15(19)2/h4-12H,13H2,1-3H3
InChIKeyZGTOWMQVTHPYCY-UHFFFAOYSA-N
MW445.91 g/mol
LogP3.82
Rot. Bonds3

About 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 53299034) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID53299034
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(Cc3cc(=O)n4ccccc4n3)c21
InChIInChI=1S/C24H20ClN5O2/c1-14-11-21(31)29(13-17-12-22(32)28-10-5-4-9-20(28)26-17)24-23(14)16(3)27-30(24)19-8-6-7-18(25)15(19)2/h4-12H,13H2,1-3H3
InChIKeyZGTOWMQVTHPYCY-UHFFFAOYSA-N
XLogP3.82
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 53299034) is 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(Cc3cc(=O)n4ccccc4n3)c21.
What is the InChIKey of 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZGTOWMQVTHPYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-14-11-21(31)29(13-17-12-22(32)28-10-5-4-9-20(28)26-17)24-23(14)16(3)27-30(24)19-8-6-7-18(25)15(19)2/h4-12H,13H2,1-3H3.
What are the key properties of 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 445.91 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 53299034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).