[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone

C17H21N5O3 — CID 97405218

IUPAC[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1
InChIInChI=1S/C17H21N5O3/c23-17(13-5-9-24-11-13)21-7-3-8-22-15(10-21)14(19-20-22)12-25-16-4-1-2-6-18-16/h1-2,4,6,13H,3,5,7-12H2/t13-/m1/s1
InChIKeyFFBCYGRKAGNAHX-CYBMUJFWSA-N
MW343.39 g/mol
LogP1.02
Rot. Bonds4

About [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone

[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 97405218) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID97405218
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1
InChIInChI=1S/C17H21N5O3/c23-17(13-5-9-24-11-13)21-7-3-8-22-15(10-21)14(19-20-22)12-25-16-4-1-2-6-18-16/h1-2,4,6,13H,3,5,7-12H2/t13-/m1/s1
InChIKeyFFBCYGRKAGNAHX-CYBMUJFWSA-N
XLogP1.02
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

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Related Compounds

(1-fluorocyclobutyl)-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131685212
(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
CID 97405121
[3-(cyclopropylmethoxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone
CID 97381511
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 124792122
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
CID 121184532
oxalic acid;oxolan-3-yl-[(3S,5R)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 155870650
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
oxan-3-yl-(5-pyridin-2-ylsulfanyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)methanone
CID 139306646
[(3S)-oxan-3-yl]-(5-pyridin-2-ylsulfanyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)methanone
CID 142437273
[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 97362548
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 97405218) is [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone is O=C([C@@H]1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1.
What is the InChIKey of [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is FFBCYGRKAGNAHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-17(13-5-9-24-11-13)21-7-3-8-22-15(10-21)14(19-20-22)12-25-16-4-1-2-6-18-16/h1-2,4,6,13H,3,5,7-12H2/t13-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone?
[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 97405218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).