5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C16H14ClN5O3 — CID 146045928

IUPAC5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)CC2
InChIInChI=1S/C16H14ClN5O3/c17-9-1-2-13-18-10(5-14(23)22(13)6-9)7-21-4-3-12-11(8-21)15(16(24)25)20-19-12/h1-2,5-6H,3-4,7-8H2,(H,19,20)(H,24,25)
InChIKeyFNQRJDRGTZNFLE-UHFFFAOYSA-N
MW359.77 g/mol
LogP1.33
Rot. Bonds3

About 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 146045928) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID146045928
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC Name5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)CC2
InChIInChI=1S/C16H14ClN5O3/c17-9-1-2-13-18-10(5-14(23)22(13)6-9)7-21-4-3-12-11(8-21)15(16(24)25)20-19-12/h1-2,5-6H,3-4,7-8H2,(H,19,20)(H,24,25)
InChIKeyFNQRJDRGTZNFLE-UHFFFAOYSA-N
XLogP1.33
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 118777844
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55544325
7-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 86774691
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18136686
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
(2R)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
CID 83194830
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 146045928) is 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)CC2.
What is the InChIKey of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is FNQRJDRGTZNFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c17-9-1-2-13-18-10(5-14(23)22(13)6-9)7-21-4-3-12-11(8-21)15(16(24)25)20-19-12/h1-2,5-6H,3-4,7-8H2,(H,19,20)(H,24,25).
What are the key properties of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 359.77 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 146045928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).