2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide

C23H23FN6OS — CID 172532163

IUPAC2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cn(-c2ccc(C(=O)N(c3nccc4scc(C)c34)[C@@H]3CCCNC3)c(F)c2)nn1
InChIInChI=1S/C23H23FN6OS/c1-14-13-32-20-7-9-26-22(21(14)20)30(17-4-3-8-25-11-17)23(31)18-6-5-16(10-19(18)24)29-12-15(2)27-28-29/h5-7,9-10,12-13,17,25H,3-4,8,11H2,1-2H3/t17-/m1/s1
InChIKeyVJCDAPMNKRXJFE-QGZVFWFLSA-N
MW450.54 g/mol
LogP4.03
Rot. Bonds4

About 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide

2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 172532163) has the molecular formula C23H23FN6OS and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID172532163
Molecular FormulaC23H23FN6OS
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cn(-c2ccc(C(=O)N(c3nccc4scc(C)c34)[C@@H]3CCCNC3)c(F)c2)nn1
InChIInChI=1S/C23H23FN6OS/c1-14-13-32-20-7-9-26-22(21(14)20)30(17-4-3-8-25-11-17)23(31)18-6-5-16(10-19(18)24)29-12-15(2)27-28-29/h5-7,9-10,12-13,17,25H,3-4,8,11H2,1-2H3/t17-/m1/s1
InChIKeyVJCDAPMNKRXJFE-QGZVFWFLSA-N
XLogP4.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 172532163) is 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cn(-c2ccc(C(=O)N(c3nccc4scc(C)c34)[C@@H]3CCCNC3)c(F)c2)nn1.
What is the InChIKey of 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is VJCDAPMNKRXJFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23FN6OS/c1-14-13-32-20-7-9-26-22(21(14)20)30(17-4-3-8-25-11-17)23(31)18-6-5-16(10-19(18)24)29-12-15(2)27-28-29/h5-7,9-10,12-13,17,25H,3-4,8,11H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide?
2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 172532163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).