(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C12H14N4OS — CID 43159417

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H14N4OS/c1-7-10(11(13)15-14-7)12(17)16-4-2-9-8(6-16)3-5-18-9/h3,5H,2,4,6H2,1H3,(H3,13,14,15)
InChIKeyCKNKBDLAQGKTSI-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.56
Rot. Bonds1

About (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 43159417) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID43159417
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H14N4OS/c1-7-10(11(13)15-14-7)12(17)16-4-2-9-8(6-16)3-5-18-9/h3,5H,2,4,6H2,1H3,(H3,13,14,15)
InChIKeyCKNKBDLAQGKTSI-UHFFFAOYSA-N
XLogP1.56
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17465401
(5-chloro-1,3-dimethylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30455819
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(2H-triazol-4-yl)methanone
CID 47338107
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 81396467
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 116667891
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 107261574
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879881
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 155498804
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 166385335

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 43159417) is (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is Cc1[nH]nc(N)c1C(=O)N1CCc2sccc2C1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is CKNKBDLAQGKTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-10(11(13)15-14-7)12(17)16-4-2-9-8(6-16)3-5-18-9/h3,5H,2,4,6H2,1H3,(H3,13,14,15).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 262.34 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 43159417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).