(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone

C15H17N5O2 — CID 95881021

IUPAC(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESO=C([C@@H]1NCCc2[nH]cnc21)N1CC(Oc2cccnc2)C1
InChIInChI=1S/C15H17N5O2/c21-15(14-13-12(3-5-17-14)18-9-19-13)20-7-11(8-20)22-10-2-1-4-16-6-10/h1-2,4,6,9,11,14,17H,3,5,7-8H2,(H,18,19)/t14-/m1/s1
InChIKeyONMNDJXHYQMPIE-CQSZACIVSA-N
MW299.33 g/mol
LogP0.28
Rot. Bonds3

About (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone

(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone (PubChem CID 95881021) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
PubChem CID95881021
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESO=C([C@@H]1NCCc2[nH]cnc21)N1CC(Oc2cccnc2)C1
InChIInChI=1S/C15H17N5O2/c21-15(14-13-12(3-5-17-14)18-9-19-13)20-7-11(8-20)22-10-2-1-4-16-6-10/h1-2,4,6,9,11,14,17H,3,5,7-8H2,(H,18,19)/t14-/m1/s1
InChIKeyONMNDJXHYQMPIE-CQSZACIVSA-N
XLogP0.28
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 70766706
4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
CID 70610857
1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896875
(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95893846
4-bromo-1-(3-pyridin-3-yloxyazetidin-1-yl)butan-1-one
CID 110208407
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 95872297
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
CID 70751373
(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
CID 154795935
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896211

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The IUPAC name of (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone (CID 95881021) is (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone.
What is the SMILES notation for (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The canonical SMILES for (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone is O=C([C@@H]1NCCc2[nH]cnc21)N1CC(Oc2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The InChIKey is ONMNDJXHYQMPIE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-15(14-13-12(3-5-17-14)18-9-19-13)20-7-11(8-20)22-10-2-1-4-16-6-10/h1-2,4,6,9,11,14,17H,3,5,7-8H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone has a molecular weight of 299.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone is sourced from PubChem (CID 95881021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).