6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H18FN5O3S — CID 165428427

IUPAC6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1n[nH]c2c1CCN(C(=O)c1ccc(F)c(O)c1)C2
InChIInChI=1S/C19H18FN5O3S/c1-24(7-12-9-29-10-21-12)19(28)17-13-4-5-25(8-15(13)22-23-17)18(27)11-2-3-14(20)16(26)6-11/h2-3,6,9-10,26H,4-5,7-8H2,1H3,(H,22,23)
InChIKeyPSOLZHKLHSPGDB-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.18
Rot. Bonds4

About 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 165428427) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID165428427
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1n[nH]c2c1CCN(C(=O)c1ccc(F)c(O)c1)C2
InChIInChI=1S/C19H18FN5O3S/c1-24(7-12-9-29-10-21-12)19(28)17-13-4-5-25(8-15(13)22-23-17)18(27)11-2-3-14(20)16(26)6-11/h2-3,6,9-10,26H,4-5,7-8H2,1H3,(H,22,23)
InChIKeyPSOLZHKLHSPGDB-UHFFFAOYSA-N
XLogP2.18
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618191
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
6-(2H-benzotriazole-5-carbonyl)-N-[(4-chloro-2-fluorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 46940811
1-(cyclopropylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26233014
5-(3-chlorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914413
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
1-(cyclopropylmethyl)-N-methyl-5-(naphthalene-1-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26227985
1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26234086

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 165428427) is 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CN(Cc1cscn1)C(=O)c1n[nH]c2c1CCN(C(=O)c1ccc(F)c(O)c1)C2.
What is the InChIKey of 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is PSOLZHKLHSPGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-24(7-12-9-29-10-21-12)19(28)17-13-4-5-25(8-15(13)22-23-17)18(27)11-2-3-14(20)16(26)6-11/h2-3,6,9-10,26H,4-5,7-8H2,1H3,(H,22,23).
What are the key properties of 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-hydroxybenzoyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 165428427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).