2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide

C18H14ClN5OS — CID 51034772

IUPAC2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(Nc2cc[nH]c2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C18H14ClN5OS/c1-20-18(25)15-16-13(17(24-23-15)22-12-6-7-21-9-12)8-14(26-16)10-2-4-11(19)5-3-10/h2-9,21H,1H3,(H,20,25)(H,22,24)
InChIKeyKVLBFGXFHRJGRG-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.44
Rot. Bonds4

About 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide

2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 51034772) has the molecular formula C18H14ClN5OS and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID51034772
Molecular FormulaC18H14ClN5OS
Molecular Weight383.86 g/mol
Exact Mass383.06
IUPAC Name2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(Nc2cc[nH]c2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C18H14ClN5OS/c1-20-18(25)15-16-13(17(24-23-15)22-12-6-7-21-9-12)8-14(26-16)10-2-4-11(19)5-3-10/h2-9,21H,1H3,(H,20,25)(H,22,24)
InChIKeyKVLBFGXFHRJGRG-UHFFFAOYSA-N
XLogP4.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
CID 51034977
2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123271272
2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103194
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033655
4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053417
4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 159036352
2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
CID 143836312
2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 67053867
2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
CID 122662388
azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate
CID 161097172
2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123865301

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (CID 51034772) is 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(Nc2cc[nH]c2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is KVLBFGXFHRJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS/c1-20-18(25)15-16-13(17(24-23-15)22-12-6-7-21-9-12)8-14(26-16)10-2-4-11(19)5-3-10/h2-9,21H,1H3,(H,20,25)(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 51034772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).