[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone

C16H22N4O2 — CID 176503964

IUPAC[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCC(C)Cn1cnc2cc(C(=O)N3CCOC[C@H]3C)cnc21
InChIInChI=1S/C16H22N4O2/c1-11(2)8-19-10-18-14-6-13(7-17-15(14)19)16(21)20-4-5-22-9-12(20)3/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m1/s1
InChIKeyOXTDNYYRCWANBC-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.95
Rot. Bonds3

About [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone

[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 176503964) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID176503964
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCC(C)Cn1cnc2cc(C(=O)N3CCOC[C@H]3C)cnc21
InChIInChI=1S/C16H22N4O2/c1-11(2)8-19-10-18-14-6-13(7-17-15(14)19)16(21)20-4-5-22-9-12(20)3/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m1/s1
InChIKeyOXTDNYYRCWANBC-GFCCVEGCSA-N
XLogP1.95
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 176503964) is [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone is CC(C)Cn1cnc2cc(C(=O)N3CCOC[C@H]3C)cnc21.
What is the InChIKey of [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is OXTDNYYRCWANBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)8-19-10-18-14-6-13(7-17-15(14)19)16(21)20-4-5-22-9-12(20)3/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 176503964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).