4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

C25H28F3N5O3 — CID 166225685

IUPAC4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCn2ccnc2C1)N1CCN(Cc2cccc3ccccc23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5O.C2HF3O2/c29-23(25-20-8-10-27-11-9-24-22(27)16-20)28-14-12-26(13-15-28)17-19-6-3-5-18-4-1-2-7-21(18)19;3-2(4,5)1(6)7/h1-7,9,11,20H,8,10,12-17H2,(H,25,29);(H,6,7)
InChIKeyQBPIAJXYPDAXRY-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.51
Rot. Bonds3

About 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166225685) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166225685
Molecular FormulaC25H28F3N5O3
Molecular Weight503.53 g/mol
Exact Mass503.21
IUPAC Name4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCn2ccnc2C1)N1CCN(Cc2cccc3ccccc23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5O.C2HF3O2/c29-23(25-20-8-10-27-11-9-24-22(27)16-20)28-14-12-26(13-15-28)17-19-6-3-5-18-4-1-2-7-21(18)19;3-2(4,5)1(6)7/h1-7,9,11,20H,8,10,12-17H2,(H,25,29);(H,6,7)
InChIKeyQBPIAJXYPDAXRY-UHFFFAOYSA-N
XLogP3.51
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 127953120
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532937
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-cyclopropyl-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide
CID 9097509
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
N-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetamide
CID 175007001
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 166225685) is 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCn2ccnc2C1)N1CCN(Cc2cccc3ccccc23)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QBPIAJXYPDAXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C2HF3O2/c29-23(25-20-8-10-27-11-9-24-22(27)16-20)28-14-12-26(13-15-28)17-19-6-3-5-18-4-1-2-7-21(18)19;3-2(4,5)1(6)7/h1-7,9,11,20H,8,10,12-17H2,(H,25,29);(H,6,7).
What are the key properties of 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 503.53 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166225685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).