[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C19H19N3OS2 — CID 124730648

IUPAC[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2cccs2)cn1
InChIInChI=1S/C19H19N3OS2/c1-21-11-12(10-20-21)14-9-15(14)19(23)22-6-4-16-13(5-8-25-16)18(22)17-3-2-7-24-17/h2-3,5,7-8,10-11,14-15,18H,4,6,9H2,1H3/t14-,15-,18-/m0/s1
InChIKeyHUKYQSLNMIHNKY-MPGHIAIKSA-N
MW369.52 g/mol
LogP3.82
Rot. Bonds3

About [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 124730648) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID124730648
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2cccs2)cn1
InChIInChI=1S/C19H19N3OS2/c1-21-11-12(10-20-21)14-9-15(14)19(23)22-6-4-16-13(5-8-25-16)18(22)17-3-2-7-24-17/h2-3,5,7-8,10-11,14-15,18H,4,6,9H2,1H3/t14-,15-,18-/m0/s1
InChIKeyHUKYQSLNMIHNKY-MPGHIAIKSA-N
XLogP3.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(Z)-3-(1-methylpyrazol-4-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one
CID 97430315
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(5-bromo-3-pyridinyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18125753
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124743790
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 51931006
(E)-3-(3-methylthiophen-2-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one
CID 9075365
methyl 5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylate
CID 42942144
(5S)-5-ethyl-5-methyl-3-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]imidazolidine-2,4-dione
CID 40844552
5,5-dimethyl-3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]imidazolidine-2,4-dione
CID 9075820

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 124730648) is [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2cccs2)cn1.
What is the InChIKey of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is HUKYQSLNMIHNKY-MPGHIAIKSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-21-11-12(10-20-21)14-9-15(14)19(23)22-6-4-16-13(5-8-25-16)18(22)17-3-2-7-24-17/h2-3,5,7-8,10-11,14-15,18H,4,6,9H2,1H3/t14-,15-,18-/m0/s1.
What are the key properties of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 369.52 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 124730648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).