(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

C25H21ClN4OS — CID 11841099

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccc(Cl)cc4)CC3c3ccccc3)sc2n1
InChIInChI=1S/C25H21ClN4OS/c1-14-12-15(2)28-24-21(14)22(27)23(32-24)25(31)30-20(17-6-4-3-5-7-17)13-19(29-30)16-8-10-18(26)11-9-16/h3-12,20H,13,27H2,1-2H3
InChIKeyZAGLHKLFYIJHAK-UHFFFAOYSA-N
MW460.99 g/mol
LogP6.14
Rot. Bonds3

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 11841099) has the molecular formula C25H21ClN4OS and a molecular weight of 460.99 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID11841099
Molecular FormulaC25H21ClN4OS
Molecular Weight460.99 g/mol
Exact Mass460.11
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccc(Cl)cc4)CC3c3ccccc3)sc2n1
InChIInChI=1S/C25H21ClN4OS/c1-14-12-15(2)28-24-21(14)22(27)23(32-24)25(31)30-20(17-6-4-3-5-7-17)13-19(29-30)16-8-10-18(26)11-9-16/h3-12,20H,13,27H2,1-2H3
InChIKeyZAGLHKLFYIJHAK-UHFFFAOYSA-N
XLogP6.14
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.99
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 11841098
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7454978
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
1-[5-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 5083839
2-chloro-1-[(3S)-5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93143934
[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 7590767
[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 4550586
1-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362
3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 11841099) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccc(Cl)cc4)CC3c3ccccc3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is ZAGLHKLFYIJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4OS/c1-14-12-15(2)28-24-21(14)22(27)23(32-24)25(31)30-20(17-6-4-3-5-7-17)13-19(29-30)16-8-10-18(26)11-9-16/h3-12,20H,13,27H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 460.99 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 11841099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).