N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C47H54F6N10O6S — CID 159215412

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CCc2nc3cccnc3n2Cc2ccc(OC(F)(F)F)cc2)CC1.O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)NCC1CCNCC1
InChIInChI=1S/C24H28F3N5O4S.C23H26F3N5O2/c1-37(34,35)31-13-10-17(11-14-31)15-29-22(33)9-8-21-30-20-3-2-12-28-23(20)32(21)16-18-4-6-19(7-5-18)36-24(25,26)27;24-23(25,26)33-18-5-3-17(4-6-18)15-31-20(30-19-2-1-11-28-22(19)31)7-8-21(32)29-14-16-9-12-27-13-10-16/h2-7,12,17H,8-11,13-16H2,1H3,(H,29,33);1-6,11,16,27H,7-10,12-15H2,(H,29,32)
InChIKeyKQZRVZIWLVQFGP-UHFFFAOYSA-N
MW1001.07 g/mol
LogP6.53
Rot. Bonds17

About N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 159215412) has the molecular formula C47H54F6N10O6S and a molecular weight of 1001.07 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID159215412
Molecular FormulaC47H54F6N10O6S
Molecular Weight1001.07 g/mol
Exact Mass1000.39
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CCc2nc3cccnc3n2Cc2ccc(OC(F)(F)F)cc2)CC1.O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)NCC1CCNCC1
InChIInChI=1S/C24H28F3N5O4S.C23H26F3N5O2/c1-37(34,35)31-13-10-17(11-14-31)15-29-22(33)9-8-21-30-20-3-2-12-28-23(20)32(21)16-18-4-6-19(7-5-18)36-24(25,26)27;24-23(25,26)33-18-5-3-17(4-6-18)15-31-20(30-19-2-1-11-28-22(19)31)7-8-21(32)29-14-16-9-12-27-13-10-16/h2-7,12,17H,8-11,13-16H2,1H3,(H,29,33);1-6,11,16,27H,7-10,12-15H2,(H,29,32)
InChIKeyKQZRVZIWLVQFGP-UHFFFAOYSA-N
XLogP6.53
TPSA187.49 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.07
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide with MolForge

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Related Compounds

3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 122445554
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide
CID 122445590
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]sulfinylacetamide
CID 122445664
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 122445670
N-butyl-3-[3-[(4-methoxyphenyl)methyl]-2-imidazo[4,5-b]pyridinyl]propanamide
CID 9550384
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methylphenyl)propanamide
CID 9551242
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]sulfonylacetamide
CID 122445622
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 122445633
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 162370313
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 162370326
N-({3-[(4-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)pentanamide
CID 16031447

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 159215412) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is CS(=O)(=O)N1CCC(CNC(=O)CCc2nc3cccnc3n2Cc2ccc(OC(F)(F)F)cc2)CC1.O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)NCC1CCNCC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is KQZRVZIWLVQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O4S.C23H26F3N5O2/c1-37(34,35)31-13-10-17(11-14-31)15-29-22(33)9-8-21-30-20-3-2-12-28-23(20)32(21)16-18-4-6-19(7-5-18)36-24(25,26)27;24-23(25,26)33-18-5-3-17(4-6-18)15-31-20(30-19-2-1-11-28-22(19)31)7-8-21(32)29-14-16-9-12-27-13-10-16/h2-7,12,17H,8-11,13-16H2,1H3,(H,29,33);1-6,11,16,27H,7-10,12-15H2,(H,29,32).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 1001.07 g/mol, XLogP of 6.53, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 159215412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).