(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C17H16ClN3OS — CID 68802157

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C17H16ClN3OS/c1-2-15-13-6-8-23-16(13)5-7-20(15)17(22)14-9-12-4-3-11(18)10-21(12)19-14/h3-4,6,8-10,15H,2,5,7H2,1H3
InChIKeyNQYVWSZCORLBBI-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.20
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 68802157) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID68802157
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C17H16ClN3OS/c1-2-15-13-6-8-23-16(13)5-7-20(15)17(22)14-9-12-4-3-11(18)10-21(12)19-14/h3-4,6,8-10,15H,2,5,7H2,1H3
InChIKeyNQYVWSZCORLBBI-UHFFFAOYSA-N
XLogP4.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68801845
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one
CID 24504461
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
(4-bromo-1H-pyrrol-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47124034
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68801354
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801749

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 68802157) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCC1c2ccsc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is NQYVWSZCORLBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-2-15-13-6-8-23-16(13)5-7-20(15)17(22)14-9-12-4-3-11(18)10-21(12)19-14/h3-4,6,8-10,15H,2,5,7H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 345.86 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 68802157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).