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

C16H13BrClN3OS — CID 68801842

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone
SMILESCC1c2scc(Cl)c2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C16H13BrClN3OS/c1-9-15-12(13(18)8-23-15)4-5-20(9)16(22)14-6-11-3-2-10(17)7-21(11)19-14/h2-3,6-9H,4-5H2,1H3
InChIKeyBUECTOFHFJUUNX-UHFFFAOYSA-N
MW410.72 g/mol
LogP4.57
Rot. Bonds1

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

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone (PubChem CID 68801842) has the molecular formula C16H13BrClN3OS and a molecular weight of 410.72 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone
PubChem CID68801842
Molecular FormulaC16H13BrClN3OS
Molecular Weight410.72 g/mol
Exact Mass408.97
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone
SMILESCC1c2scc(Cl)c2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C16H13BrClN3OS/c1-9-15-12(13(18)8-23-15)4-5-20(9)16(22)14-6-11-3-2-10(17)7-21(11)19-14/h2-3,6-9H,4-5H2,1H3
InChIKeyBUECTOFHFJUUNX-UHFFFAOYSA-N
XLogP4.57
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.72
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone (CID 68801842) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone is CC1c2scc(Cl)c2CCN1C(=O)c1cc2ccc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone?
The InChIKey is BUECTOFHFJUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3OS/c1-9-15-12(13(18)8-23-15)4-5-20(9)16(22)14-6-11-3-2-10(17)7-21(11)19-14/h2-3,6-9H,4-5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone has a molecular weight of 410.72 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone is sourced from PubChem (CID 68801842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).