N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

C18H25F3N6O2 — CID 50831502

IUPACN-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1
InChIInChI=1S/C18H25F3N6O2/c1-29-13-3-6-23-17(28)26-10-7-25(8-11-26)9-12-27-15-14(4-2-5-22-15)24-16(27)18(19,20)21/h2,4-5H,3,6-13H2,1H3,(H,23,28)
InChIKeyLTDVIUZUKBHNON-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.81
Rot. Bonds7

About N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (PubChem CID 50831502) has the molecular formula C18H25F3N6O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
PubChem CID50831502
Molecular FormulaC18H25F3N6O2
Molecular Weight414.43 g/mol
Exact Mass414.20
IUPAC NameN-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1
InChIInChI=1S/C18H25F3N6O2/c1-29-13-3-6-23-17(28)26-10-7-25(8-11-26)9-12-27-15-14(4-2-5-22-15)24-16(27)18(19,20)21/h2,4-5H,3,6-13H2,1H3,(H,23,28)
InChIKeyLTDVIUZUKBHNON-UHFFFAOYSA-N
XLogP1.81
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Glu-P 2
CID 49970
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90178371
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
Piperazine carbamate/urea derivative 4
CID 89487751
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-7H-purin-8-one
CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740696
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (CID 50831502) is N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is COCCCNC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is LTDVIUZUKBHNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N6O2/c1-29-13-3-6-23-17(28)26-10-7-25(8-11-26)9-12-27-15-14(4-2-5-22-15)24-16(27)18(19,20)21/h2,4-5H,3,6-13H2,1H3,(H,23,28).
What are the key properties of N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?
N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 50831502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).