5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C18H18ClN3O4 — CID 56709419

IUPAC5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(Cl)cc1O)CC2
InChIInChI=1S/C18H18ClN3O4/c19-11-3-4-12(15(23)7-11)17(24)21-6-5-14-13(9-21)16(18(25)26)20-22(14)8-10-1-2-10/h3-4,7,10,23H,1-2,5-6,8-9H2,(H,25,26)
InChIKeyXVQONNJORRNQAR-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.55
Rot. Bonds4

About 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56709419) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56709419
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(Cl)cc1O)CC2
InChIInChI=1S/C18H18ClN3O4/c19-11-3-4-12(15(23)7-11)17(24)21-6-5-14-13(9-21)16(18(25)26)20-22(14)8-10-1-2-10/h3-4,7,10,23H,1-2,5-6,8-9H2,(H,25,26)
InChIKeyXVQONNJORRNQAR-UHFFFAOYSA-N
XLogP2.55
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718588
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 176515483
5-(3-cyclopropylpropanoyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56714056
[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 71837217
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
CID 56879838
1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82585852
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56709419) is 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(Cl)cc1O)CC2.
What is the InChIKey of 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is XVQONNJORRNQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-11-3-4-12(15(23)7-11)17(24)21-6-5-14-13(9-21)16(18(25)26)20-22(14)8-10-1-2-10/h3-4,7,10,23H,1-2,5-6,8-9H2,(H,25,26).
What are the key properties of 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 375.81 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56709419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).