N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide

C19H14ClN3OS — CID 134793390

IUPACN-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(-c2cccs2)c2cccn2n1
InChIInChI=1S/C19H14ClN3OS/c20-14-5-1-4-13(10-14)12-21-19(24)16-11-15(18-7-3-9-25-18)17-6-2-8-23(17)22-16/h1-11H,12H2,(H,21,24)
InChIKeyJGTYSHKTUBHZGP-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.65
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide

N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 134793390) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID134793390
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC NameN-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(-c2cccs2)c2cccn2n1
InChIInChI=1S/C19H14ClN3OS/c20-14-5-1-4-13(10-14)12-21-19(24)16-11-15(18-7-3-9-25-18)17-6-2-8-23(17)22-16/h1-11H,12H2,(H,21,24)
InChIKeyJGTYSHKTUBHZGP-UHFFFAOYSA-N
XLogP4.65
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide (CID 134793390) is N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(-c2cccs2)c2cccn2n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is JGTYSHKTUBHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c20-14-5-1-4-13(10-14)12-21-19(24)16-11-15(18-7-3-9-25-18)17-6-2-8-23(17)22-16/h1-11H,12H2,(H,21,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 134793390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).