N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide

C24H20ClF3N4O2 — CID 122445734

IUPACN-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClF3N4O2/c25-18-5-1-16(2-6-18)13-30-23(33)10-9-22-31-20-11-12-29-14-21(20)32(22)15-17-3-7-19(8-4-17)34-24(26,27)28/h1-8,11-12,14H,9-10,13,15H2,(H,30,33)
InChIKeySVKCQSXDZXTNKM-UHFFFAOYSA-N
MW488.90 g/mol
LogP5.28
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide

N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide (PubChem CID 122445734) has the molecular formula C24H20ClF3N4O2 and a molecular weight of 488.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide
PubChem CID122445734
Molecular FormulaC24H20ClF3N4O2
Molecular Weight488.90 g/mol
Exact Mass488.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClF3N4O2/c25-18-5-1-16(2-6-18)13-30-23(33)10-9-22-31-20-11-12-29-14-21(20)32(22)15-17-3-7-19(8-4-17)34-24(26,27)28/h1-8,11-12,14H,9-10,13,15H2,(H,30,33)
InChIKeySVKCQSXDZXTNKM-UHFFFAOYSA-N
XLogP5.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide (CID 122445734) is N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide is O=C(CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide?
The InChIKey is SVKCQSXDZXTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2/c25-18-5-1-16(2-6-18)13-30-23(33)10-9-22-31-20-11-12-29-14-21(20)32(22)15-17-3-7-19(8-4-17)34-24(26,27)28/h1-8,11-12,14H,9-10,13,15H2,(H,30,33).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide has a molecular weight of 488.90 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).