N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide

C23H28N4OS — CID 15945567

IUPACN-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21
InChIInChI=1S/C23H28N4OS/c1-3-20(22(28)25-18-9-4-5-10-18)27-21-14-24-12-11-19(21)26-23(27)29-15-17-8-6-7-16(2)13-17/h6-8,11-14,18,20H,3-5,9-10,15H2,1-2H3,(H,25,28)
InChIKeyDNFVGUDSUVTECZ-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.04
Rot. Bonds7

About N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide

N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (PubChem CID 15945567) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
PubChem CID15945567
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC NameN-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21
InChIInChI=1S/C23H28N4OS/c1-3-20(22(28)25-18-9-4-5-10-18)27-21-14-24-12-11-19(21)26-23(27)29-15-17-8-6-7-16(2)13-17/h6-8,11-14,18,20H,3-5,9-10,15H2,1-2H3,(H,25,28)
InChIKeyDNFVGUDSUVTECZ-UHFFFAOYSA-N
XLogP5.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The IUPAC name of N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (CID 15945567) is N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is CCC(C(=O)NC1CCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21.
What is the InChIKey of N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The InChIKey is DNFVGUDSUVTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-3-20(22(28)25-18-9-4-5-10-18)27-21-14-24-12-11-19(21)26-23(27)29-15-17-8-6-7-16(2)13-17/h6-8,11-14,18,20H,3-5,9-10,15H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide has a molecular weight of 408.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 15945567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).