(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C18H17ClN6OS — CID 122347915

IUPAC(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C18H17ClN6OS/c19-15-2-1-14(27-15)18(26)25-11-9-24(10-12-25)17-4-3-16(22-23-17)21-13-5-7-20-8-6-13/h1-8H,9-12H2,(H,20,21,22)
InChIKeyDEWBEVLKBZIPHJ-UHFFFAOYSA-N
MW400.90 g/mol
LogP3.29
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347915) has the molecular formula C18H17ClN6OS and a molecular weight of 400.90 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347915
Molecular FormulaC18H17ClN6OS
Molecular Weight400.90 g/mol
Exact Mass400.09
IUPAC Name(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C18H17ClN6OS/c19-15-2-1-14(27-15)18(26)25-11-9-24(10-12-25)17-4-3-16(22-23-17)21-13-5-7-20-8-6-13/h1-8H,9-12H2,(H,20,21,22)
InChIKeyDEWBEVLKBZIPHJ-UHFFFAOYSA-N
XLogP3.29
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.90
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 122334960
(5-chlorothiophen-2-yl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341264
(3,4-dimethoxyphenyl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 56699559
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
(5-nitrofuran-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347847
[3-(dimethylamino)phenyl]-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347910
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
(E)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122347866
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276861
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347837
6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine
CID 99980102

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347915) is (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DEWBEVLKBZIPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6OS/c19-15-2-1-14(27-15)18(26)25-11-9-24(10-12-25)17-4-3-16(22-23-17)21-13-5-7-20-8-6-13/h1-8H,9-12H2,(H,20,21,22).
What are the key properties of (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 400.90 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).