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

C18H18N6O — CID 134810992

IUPACN-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCCn3ccnc3)cc(-c3ccccn3)nc12
InChIInChI=1S/C18H18N6O/c1-13-17-18(25-23-13)16(21-7-4-9-24-10-8-19-12-24)11-15(22-17)14-5-2-3-6-20-14/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,21,22)
InChIKeyWIUDPYKFQKUJMA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.29
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134810992) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134810992
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCCn3ccnc3)cc(-c3ccccn3)nc12
InChIInChI=1S/C18H18N6O/c1-13-17-18(25-23-13)16(21-7-4-9-24-10-8-19-12-24)11-15(22-17)14-5-2-3-6-20-14/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,21,22)
InChIKeyWIUDPYKFQKUJMA-UHFFFAOYSA-N
XLogP3.29
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.29
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-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134810992) is N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCCCn3ccnc3)cc(-c3ccccn3)nc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is WIUDPYKFQKUJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13-17-18(25-23-13)16(21-7-4-9-24-10-8-19-12-24)11-15(22-17)14-5-2-3-6-20-14/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,21,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 334.38 g/mol, XLogP of 3.29, 6 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-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134810992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).