[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone

C17H26N4O3 — CID 97462385

IUPAC[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1
InChIInChI=1S/C17H26N4O3/c22-17(19-5-7-23-8-6-19)21-10-15(13-24-12-14-1-2-14)9-20-4-3-18-16(20)11-21/h3-4,14-15H,1-2,5-13H2/t15-/m0/s1
InChIKeyYIWAULDJJYGWDB-HNNXBMFYSA-N
MW334.42 g/mol
LogP1.19
Rot. Bonds4

About [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone

[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone (PubChem CID 97462385) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone
PubChem CID97462385
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1
InChIInChI=1S/C17H26N4O3/c22-17(19-5-7-23-8-6-19)21-10-15(13-24-12-14-1-2-14)9-20-4-3-18-16(20)11-21/h3-4,14-15H,1-2,5-13H2/t15-/m0/s1
InChIKeyYIWAULDJJYGWDB-HNNXBMFYSA-N
XLogP1.19
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrazin-2-ylmethanone
CID 97462351
[6-[2-(dimethylamino)ethoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(oxolan-3-yl)methanone
CID 131656052
[(6R)-6-[2-(dimethylamino)ethoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-[(3R)-oxolan-3-yl]methanone
CID 97389161
N-cyclopentyl-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646561
6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208
N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 131660492
2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463185
2-ethoxy-1-[(6R)-6-(prop-2-enoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 97462312
cyclopropyl-[6-(pyridin-3-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 134069030
N-cyclopropyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131659172
2-cyclopropyl-1-[6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069047
N,N-dimethyl-2-[[(6S)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 98817690

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone (CID 97462385) is [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1.
What is the InChIKey of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone?
The InChIKey is YIWAULDJJYGWDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-17(19-5-7-23-8-6-19)21-10-15(13-24-12-14-1-2-14)9-20-4-3-18-16(20)11-21/h3-4,14-15H,1-2,5-13H2/t15-/m0/s1.
What are the key properties of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone?
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97462385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).