4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

C34H32FN5O4S — CID 176624170

IUPAC4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1nnc(-c2c(COc3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2cc([C@@H]3CCc4ccccc43)c(C(N)=O)s2)o1
InChIInChI=1S/C34H32FN5O4S/c1-17(2)14-25-28(32(36)41)30(27-15-24(31(45-27)33(37)42)23-13-8-19-6-4-5-7-22(19)23)29(34-40-39-18(3)44-34)26(38-25)16-43-21-11-9-20(35)10-12-21/h4-7,9-12,15,17,23H,8,13-14,16H2,1-3H3,(H2,36,41)(H2,37,42)/t23-/m1/s1
InChIKeyWRHKVANCIVBZBD-HSZRJFAPSA-N
MW625.73 g/mol
LogP6.36
Rot. Bonds10

About 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 176624170) has the molecular formula C34H32FN5O4S and a molecular weight of 625.73 g/mol. Its IUPAC name is 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID176624170
Molecular FormulaC34H32FN5O4S
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1nnc(-c2c(COc3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2cc([C@@H]3CCc4ccccc43)c(C(N)=O)s2)o1
InChIInChI=1S/C34H32FN5O4S/c1-17(2)14-25-28(32(36)41)30(27-15-24(31(45-27)33(37)42)23-13-8-19-6-4-5-7-22(19)23)29(34-40-39-18(3)44-34)26(38-25)16-43-21-11-9-20(35)10-12-21/h4-7,9-12,15,17,23H,8,13-14,16H2,1-3H3,(H2,36,41)(H2,37,42)/t23-/m1/s1
InChIKeyWRHKVANCIVBZBD-HSZRJFAPSA-N
XLogP6.36
TPSA147.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (CID 176624170) is 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is Cc1nnc(-c2c(COc3ccc(F)cc3)nc(CC(C)C)c(C(N)=O)c2-c2cc([C@@H]3CCc4ccccc43)c(C(N)=O)s2)o1.
What is the InChIKey of 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is WRHKVANCIVBZBD-HSZRJFAPSA-N. The full InChI is InChI=1S/C34H32FN5O4S/c1-17(2)14-25-28(32(36)41)30(27-15-24(31(45-27)33(37)42)23-13-8-19-6-4-5-7-22(19)23)29(34-40-39-18(3)44-34)26(38-25)16-43-21-11-9-20(35)10-12-21/h4-7,9-12,15,17,23H,8,13-14,16H2,1-3H3,(H2,36,41)(H2,37,42)/t23-/m1/s1.
What are the key properties of 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 625.73 g/mol, XLogP of 6.36, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-carbamoyl-4-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophen-2-yl]-6-[(4-fluorophenoxy)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 176624170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).