2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide

C19H16ClN5OS — CID 155566241

IUPAC2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
SMILESCc1cc(NNC(=O)c2ccccc2Cl)nc2c1c(-c1cccs1)nn2C
InChIInChI=1S/C19H16ClN5OS/c1-11-10-15(22-23-19(26)12-6-3-4-7-13(12)20)21-18-16(11)17(24-25(18)2)14-8-5-9-27-14/h3-10H,1-2H3,(H,21,22)(H,23,26)
InChIKeyPRZYTPBYZCODHS-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.42
Rot. Bonds4

About 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide

2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide (PubChem CID 155566241) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
PubChem CID155566241
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
SMILESCc1cc(NNC(=O)c2ccccc2Cl)nc2c1c(-c1cccs1)nn2C
InChIInChI=1S/C19H16ClN5OS/c1-11-10-15(22-23-19(26)12-6-3-4-7-13(12)20)21-18-16(11)17(24-25(18)2)14-8-5-9-27-14/h3-10H,1-2H3,(H,21,22)(H,23,26)
InChIKeyPRZYTPBYZCODHS-UHFFFAOYSA-N
XLogP4.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide (CID 155566241) is 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide is Cc1cc(NNC(=O)c2ccccc2Cl)nc2c1c(-c1cccs1)nn2C.
What is the InChIKey of 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
The InChIKey is PRZYTPBYZCODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-11-10-15(22-23-19(26)12-6-3-4-7-13(12)20)21-18-16(11)17(24-25(18)2)14-8-5-9-27-14/h3-10H,1-2H3,(H,21,22)(H,23,26).
What are the key properties of 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide?
2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide has a molecular weight of 397.89 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide is sourced from PubChem (CID 155566241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).