N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one

C38H42N6O — CID 91483895

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one
SMILESCCCC(CNCc1cnc2ccccn12)c1ccccc1.O=C1CCC(c2ccccc2)CN1Cc1cnc2ccccn12
InChIInChI=1S/C19H19N3O.C19H23N3/c23-19-10-9-16(15-6-2-1-3-7-15)13-21(19)14-17-12-20-18-8-4-5-11-22(17)18;1-2-8-17(16-9-4-3-5-10-16)13-20-14-18-15-21-19-11-6-7-12-22(18)19/h1-8,11-12,16H,9-10,13-14H2;3-7,9-12,15,17,20H,2,8,13-14H2,1H3
InChIKeyJSXLNPQWUBXMCE-UHFFFAOYSA-N
MW598.80 g/mol
LogP7.25
Rot. Bonds10

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one (PubChem CID 91483895) has the molecular formula C38H42N6O and a molecular weight of 598.80 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one
PubChem CID91483895
Molecular FormulaC38H42N6O
Molecular Weight598.80 g/mol
Exact Mass598.34
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one
SMILESCCCC(CNCc1cnc2ccccn12)c1ccccc1.O=C1CCC(c2ccccc2)CN1Cc1cnc2ccccn12
InChIInChI=1S/C19H19N3O.C19H23N3/c23-19-10-9-16(15-6-2-1-3-7-15)13-21(19)14-17-12-20-18-8-4-5-11-22(17)18;1-2-8-17(16-9-4-3-5-10-16)13-20-14-18-15-21-19-11-6-7-12-22(18)19/h1-8,11-12,16H,9-10,13-14H2;3-7,9-12,15,17,20H,2,8,13-14H2,1H3
InChIKeyJSXLNPQWUBXMCE-UHFFFAOYSA-N
XLogP7.25
TPSA66.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.80
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 24762176
4-Tert-Butyl-N-[6-(1h-Imidazol-1-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide
CID 24944925

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one (CID 91483895) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one is CCCC(CNCc1cnc2ccccn12)c1ccccc1.O=C1CCC(c2ccccc2)CN1Cc1cnc2ccccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one?
The InChIKey is JSXLNPQWUBXMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.C19H23N3/c23-19-10-9-16(15-6-2-1-3-7-15)13-21(19)14-17-12-20-18-8-4-5-11-22(17)18;1-2-8-17(16-9-4-3-5-10-16)13-20-14-18-15-21-19-11-6-7-12-22(18)19/h1-8,11-12,16H,9-10,13-14H2;3-7,9-12,15,17,20H,2,8,13-14H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one has a molecular weight of 598.80 g/mol, XLogP of 7.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one is sourced from PubChem (CID 91483895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).