6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

C17H11ClN6O3S — CID 87717796

IUPAC6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1
InChIInChI=1S/C17H11ClN6O3S/c18-8-2-1-3-9(4-8)21-16(27)23-17-19-7-13(28-17)12-5-10(15(25)26)11-6-20-24-14(11)22-12/h1-7H,(H,25,26)(H,20,22,24)(H2,19,21,23,27)
InChIKeyKFTHWTHRXPCKAM-UHFFFAOYSA-N
MW414.83 g/mol
LogP4.08
Rot. Bonds4

About 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 87717796) has the molecular formula C17H11ClN6O3S and a molecular weight of 414.83 g/mol. Its IUPAC name is 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID87717796
Molecular FormulaC17H11ClN6O3S
Molecular Weight414.83 g/mol
Exact Mass414.03
IUPAC Name6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1
InChIInChI=1S/C17H11ClN6O3S/c18-8-2-1-3-9(4-8)21-16(27)23-17-19-7-13(28-17)12-5-10(15(25)26)11-6-20-24-14(11)22-12/h1-7H,(H,25,26)(H,20,22,24)(H2,19,21,23,27)
InChIKeyKFTHWTHRXPCKAM-UHFFFAOYSA-N
XLogP4.08
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 87717796) is 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(Nc1cccc(Cl)c1)Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1.
What is the InChIKey of 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is KFTHWTHRXPCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O3S/c18-8-2-1-3-9(4-8)21-16(27)23-17-19-7-13(28-17)12-5-10(15(25)26)11-6-20-24-14(11)22-12/h1-7H,(H,25,26)(H,20,22,24)(H2,19,21,23,27).
What are the key properties of 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 414.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 87717796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).