N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide

C36H34FN5O3S — CID 176636481

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2c(CCc3ccc(F)cc3)nc3c(c2-c2ccc(C(=O)NC4CCc5ccccc54)s2)C(=O)NCC3C(C)C)o1
InChIInChI=1S/C36H34FN5O3S/c1-19(2)25-18-38-35(44)32-31(28-16-17-29(46-28)34(43)40-26-15-11-22-6-4-5-7-24(22)26)30(36-42-41-20(3)45-36)27(39-33(25)32)14-10-21-8-12-23(37)13-9-21/h4-9,12-13,16-17,19,25-26H,10-11,14-15,18H2,1-3H3,(H,38,44)(H,40,43)
InChIKeyKHCQNZUSTJYOMF-UHFFFAOYSA-N
MW635.77 g/mol
LogP6.99
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide (PubChem CID 176636481) has the molecular formula C36H34FN5O3S and a molecular weight of 635.77 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide
PubChem CID176636481
Molecular FormulaC36H34FN5O3S
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2c(CCc3ccc(F)cc3)nc3c(c2-c2ccc(C(=O)NC4CCc5ccccc54)s2)C(=O)NCC3C(C)C)o1
InChIInChI=1S/C36H34FN5O3S/c1-19(2)25-18-38-35(44)32-31(28-16-17-29(46-28)34(43)40-26-15-11-22-6-4-5-7-24(22)26)30(36-42-41-20(3)45-36)27(39-33(25)32)14-10-21-8-12-23(37)13-9-21/h4-9,12-13,16-17,19,25-26H,10-11,14-15,18H2,1-3H3,(H,38,44)(H,40,43)
InChIKeyKHCQNZUSTJYOMF-UHFFFAOYSA-N
XLogP6.99
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 176635798
5-[(9aS)-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 176636160
5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 176635989
5-[(9aS)-2-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 176636244
5-[(9aS)-2-[(4-fluorophenoxy)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 176636208
4-[5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-6-[2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624111
6-[2-(4-fluorophenyl)ethyl]-4-[5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624243
4-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624251
4-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-6-[(2S)-2-fluoro-2-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176624257
5-[(9aR)-2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R,3R)-3-methoxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 176636158
4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-ylcarbamoyl)thiophen-2-yl]-6-[(2S)-2-(4-fluorophenyl)propyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
CID 176673234
6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide
CID 176673570

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide (CID 176636481) is N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide is Cc1nnc(-c2c(CCc3ccc(F)cc3)nc3c(c2-c2ccc(C(=O)NC4CCc5ccccc54)s2)C(=O)NCC3C(C)C)o1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide?
The InChIKey is KHCQNZUSTJYOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FN5O3S/c1-19(2)25-18-38-35(44)32-31(28-16-17-29(46-28)34(43)40-26-15-11-22-6-4-5-7-24(22)26)30(36-42-41-20(3)45-36)27(39-33(25)32)14-10-21-8-12-23(37)13-9-21/h4-9,12-13,16-17,19,25-26H,10-11,14-15,18H2,1-3H3,(H,38,44)(H,40,43).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide has a molecular weight of 635.77 g/mol, XLogP of 6.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-8-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 176636481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).