N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine

C24H22N6O — CID 134805968

IUPACN-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NCCCn3ccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H22N6O/c1-17-22-23(31-29-17)20(15-21(28-22)18-7-3-2-4-8-18)19-9-5-10-26-24(19)27-11-6-13-30-14-12-25-16-30/h2-5,7-10,12,14-16H,6,11,13H2,1H3,(H,26,27)
InChIKeyDPIPEEYPKBKABO-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.96
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine

N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine (PubChem CID 134805968) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
PubChem CID134805968
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NCCCn3ccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H22N6O/c1-17-22-23(31-29-17)20(15-21(28-22)18-7-3-2-4-8-18)19-9-5-10-26-24(19)27-11-6-13-30-14-12-25-16-30/h2-5,7-10,12,14-16H,6,11,13H2,1H3,(H,26,27)
InChIKeyDPIPEEYPKBKABO-UHFFFAOYSA-N
XLogP4.96
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine (CID 134805968) is N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine is Cc1noc2c(-c3cccnc3NCCCn3ccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
The InChIKey is DPIPEEYPKBKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17-22-23(31-29-17)20(15-21(28-22)18-7-3-2-4-8-18)19-9-5-10-26-24(19)27-11-6-13-30-14-12-25-16-30/h2-5,7-10,12,14-16H,6,11,13H2,1H3,(H,26,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine has a molecular weight of 410.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine is sourced from PubChem (CID 134805968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).