7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C23H18ClN5O4 — CID 91893971

IUPAC7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2nn3ccn(Cc4cc(=O)n5cc(Cl)ccc5n4)c(=O)c3c2CO)cc1
InChIInChI=1S/C23H18ClN5O4/c1-33-17-5-2-14(3-6-17)21-18(13-30)22-23(32)27(8-9-29(22)26-21)12-16-10-20(31)28-11-15(24)4-7-19(28)25-16/h2-11,30H,12-13H2,1H3
InChIKeyMHEGNPUKDXCIHC-UHFFFAOYSA-N
MW463.88 g/mol
LogP2.37
Rot. Bonds5

About 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 91893971) has the molecular formula C23H18ClN5O4 and a molecular weight of 463.88 g/mol. Its IUPAC name is 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID91893971
Molecular FormulaC23H18ClN5O4
Molecular Weight463.88 g/mol
Exact Mass463.10
IUPAC Name7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2nn3ccn(Cc4cc(=O)n5cc(Cl)ccc5n4)c(=O)c3c2CO)cc1
InChIInChI=1S/C23H18ClN5O4/c1-33-17-5-2-14(3-6-17)21-18(13-30)22-23(32)27(8-9-29(22)26-21)12-16-10-20(31)28-11-15(24)4-7-19(28)25-16/h2-11,30H,12-13H2,1H3
InChIKeyMHEGNPUKDXCIHC-UHFFFAOYSA-N
XLogP2.37
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-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

3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91893976
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(hydroxymethyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894018
N-butyl-2-[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91893981
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893848
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893949
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91894046
3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91887199
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894143
5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894130
7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46614668

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 91893971) is 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2nn3ccn(Cc4cc(=O)n5cc(Cl)ccc5n4)c(=O)c3c2CO)cc1.
What is the InChIKey of 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MHEGNPUKDXCIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O4/c1-33-17-5-2-14(3-6-17)21-18(13-30)22-23(32)27(8-9-29(22)26-21)12-16-10-20(31)28-11-15(24)4-7-19(28)25-16/h2-11,30H,12-13H2,1H3.
What are the key properties of 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 463.88 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91893971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).