N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide

C35H36FN5O5S — CID 10842042

IUPACN-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide
SMILESCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C35H36FN5O5S/c1-4-10-31-37-29-19-20-40(23-33(43)39(2)3)35(44)34(29)41(31)22-26-17-16-25(21-28(26)36)27-13-8-9-14-30(27)47(45,46)38-32(42)18-15-24-11-6-5-7-12-24/h5-9,11-14,16-17,19-21H,4,10,15,18,22-23H2,1-3H3,(H,38,42)
InChIKeyDGAIEQFUINFSHT-UHFFFAOYSA-N
MW657.77 g/mol
LogP4.53
Rot. Bonds12

About N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide

N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide (PubChem CID 10842042) has the molecular formula C35H36FN5O5S and a molecular weight of 657.77 g/mol. Its IUPAC name is N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide
PubChem CID10842042
Molecular FormulaC35H36FN5O5S
Molecular Weight657.77 g/mol
Exact Mass657.24
IUPAC NameN-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide
SMILESCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C35H36FN5O5S/c1-4-10-31-37-29-19-20-40(23-33(43)39(2)3)35(44)34(29)41(31)22-26-17-16-25(21-28(26)36)27-13-8-9-14-30(27)47(45,46)38-32(42)18-15-24-11-6-5-7-12-24/h5-9,11-14,16-17,19-21H,4,10,15,18,22-23H2,1-3H3,(H,38,42)
InChIKeyDGAIEQFUINFSHT-UHFFFAOYSA-N
XLogP4.53
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
The IUPAC name of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide (CID 10842042) is N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
The canonical SMILES for N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide is CCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCc2ccccc2)cc1F.
What is the InChIKey of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
The InChIKey is DGAIEQFUINFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN5O5S/c1-4-10-31-37-29-19-20-40(23-33(43)39(2)3)35(44)34(29)41(31)22-26-17-16-25(21-28(26)36)27-13-8-9-14-30(27)47(45,46)38-32(42)18-15-24-11-6-5-7-12-24/h5-9,11-14,16-17,19-21H,4,10,15,18,22-23H2,1-3H3,(H,38,42).
What are the key properties of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide has a molecular weight of 657.77 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide is sourced from PubChem (CID 10842042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).