(4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone

C22H24ClN5OS — CID 71740504

IUPAC(4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C22H24ClN5OS/c23-18-3-1-16(2-4-18)22(29)27-10-5-20(6-11-27)28-15-19(24-25-28)14-26-9-7-21-17(13-26)8-12-30-21/h1-4,8,12,15,20H,5-7,9-11,13-14H2
InChIKeyOEEHEDNZXAWOIT-UHFFFAOYSA-N
MW441.99 g/mol
LogP4.03
Rot. Bonds4

About (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 71740504) has the molecular formula C22H24ClN5OS and a molecular weight of 441.99 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID71740504
Molecular FormulaC22H24ClN5OS
Molecular Weight441.99 g/mol
Exact Mass441.14
IUPAC Name(4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C22H24ClN5OS/c23-18-3-1-16(2-4-18)22(29)27-10-5-20(6-11-27)28-15-19(24-25-28)14-26-9-7-21-17(13-26)8-12-30-21/h1-4,8,12,15,20H,5-7,9-11,13-14H2
InChIKeyOEEHEDNZXAWOIT-UHFFFAOYSA-N
XLogP4.03
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.99
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone (CID 71740504) is (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is OEEHEDNZXAWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5OS/c23-18-3-1-16(2-4-18)22(29)27-10-5-20(6-11-27)28-15-19(24-25-28)14-26-9-7-21-17(13-26)8-12-30-21/h1-4,8,12,15,20H,5-7,9-11,13-14H2.
What are the key properties of (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 441.99 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71740504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).