6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C18H16N6O3 — CID 166623510

IUPAC6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C18H16N6O3/c1-10-13(8-20-16(21-10)11-3-2-5-19-7-11)17(25)24-6-4-12-14(9-24)22-23-15(12)18(26)27/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)(H,26,27)
InChIKeyAGWGXJUGYWHCEV-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.47
Rot. Bonds3

About 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 166623510) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID166623510
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C18H16N6O3/c1-10-13(8-20-16(21-10)11-3-2-5-19-7-11)17(25)24-6-4-12-14(9-24)22-23-15(12)18(26)27/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)(H,26,27)
InChIKeyAGWGXJUGYWHCEV-UHFFFAOYSA-N
XLogP1.47
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399
N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
CID 155911052
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193736
9,9-dimethyl-3-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138387668
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 164694318
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 172664673
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 166623510) is 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is Cc1nc(-c2cccnc2)ncc1C(=O)N1CCc2c(C(=O)O)n[nH]c2C1.
What is the InChIKey of 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is AGWGXJUGYWHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-10-13(8-20-16(21-10)11-3-2-5-19-7-11)17(25)24-6-4-12-14(9-24)22-23-15(12)18(26)27/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)(H,26,27).
What are the key properties of 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 364.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 166623510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).