[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride

C21H26ClN7O2 — CID 171710821

IUPAC[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride
SMILESCl.O=C(c1cn(CCC2CCCCN2)nn1)N1CCc2oc(-c3cccnc3)nc2C1
InChIInChI=1S/C21H25N7O2.ClH/c29-21(18-14-28(26-25-18)11-6-16-5-1-2-9-23-16)27-10-7-19-17(13-27)24-20(30-19)15-4-3-8-22-12-15;/h3-4,8,12,14,16,23H,1-2,5-7,9-11,13H2;1H
InChIKeyOTFMWBPEMDQBMF-UHFFFAOYSA-N
MW443.94 g/mol
LogP2.48
Rot. Bonds5

About [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride

[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride (PubChem CID 171710821) has the molecular formula C21H26ClN7O2 and a molecular weight of 443.94 g/mol. Its IUPAC name is [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride
PubChem CID171710821
Molecular FormulaC21H26ClN7O2
Molecular Weight443.94 g/mol
Exact Mass443.18
IUPAC Name[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride
SMILESCl.O=C(c1cn(CCC2CCCCN2)nn1)N1CCc2oc(-c3cccnc3)nc2C1
InChIInChI=1S/C21H25N7O2.ClH/c29-21(18-14-28(26-25-18)11-6-16-5-1-2-9-23-16)27-10-7-19-17(13-27)24-20(30-19)15-4-3-8-22-12-15;/h3-4,8,12,14,16,23H,1-2,5-7,9-11,13H2;1H
InChIKeyOTFMWBPEMDQBMF-UHFFFAOYSA-N
XLogP2.48
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride with MolForge

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Related Compounds

(1-methylpyrrolidin-3-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512029
[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512265
6-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70786975
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70717153
[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502169
3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 96579039
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-piperidin-2-ylmethanone;hydrochloride
CID 171711570
5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
CID 169413116
2-ethoxy-1-[4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 170509764
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502442
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169420006

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride?
The IUPAC name of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride (CID 171710821) is [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride?
The canonical SMILES for [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride is Cl.O=C(c1cn(CCC2CCCCN2)nn1)N1CCc2oc(-c3cccnc3)nc2C1.
What is the InChIKey of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride?
The InChIKey is OTFMWBPEMDQBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2.ClH/c29-21(18-14-28(26-25-18)11-6-16-5-1-2-9-23-16)27-10-7-19-17(13-27)24-20(30-19)15-4-3-8-22-12-15;/h3-4,8,12,14,16,23H,1-2,5-7,9-11,13H2;1H.
What are the key properties of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride?
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride has a molecular weight of 443.94 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride is sourced from PubChem (CID 171710821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).