4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine

C16H26N4O2 — CID 98817706

IUPAC4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESc1cn2c(n1)CN([C@H]1CCOC1)C[C@@H](CN1CCOCC1)C2
InChIInChI=1S/C16H26N4O2/c1-6-22-13-15(1)20-11-14(9-18-4-7-21-8-5-18)10-19-3-2-17-16(19)12-20/h2-3,14-15H,1,4-13H2/t14-,15-/m0/s1
InChIKeyFZJKNIXBGPNDNO-GJZGRUSLSA-N
MW306.41 g/mol
LogP0.44
Rot. Bonds3

About 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine

4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (PubChem CID 98817706) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
PubChem CID98817706
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESc1cn2c(n1)CN([C@H]1CCOC1)C[C@@H](CN1CCOCC1)C2
InChIInChI=1S/C16H26N4O2/c1-6-22-13-15(1)20-11-14(9-18-4-7-21-8-5-18)10-19-3-2-17-16(19)12-20/h2-3,14-15H,1,4-13H2/t14-,15-/m0/s1
InChIKeyFZJKNIXBGPNDNO-GJZGRUSLSA-N
XLogP0.44
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(oxolan-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131647484
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
N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 131660492
N-methyl-N-[[(6R)-8-[[(3S)-oxolan-3-yl]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]propan-2-amine
CID 124521561
8-(oxolan-3-ylmethyl)-6-(pyridin-3-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 134076030
8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 134076046
8-(oxolan-3-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155826652
2-ethoxy-1-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 97462833
2-ethoxy-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118744940
(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 125015465
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone
CID 97462385
(2R)-N-methyl-1-morpholin-4-yl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propan-2-amine
CID 129342047

Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (CID 98817706) is 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is c1cn2c(n1)CN([C@H]1CCOC1)C[C@@H](CN1CCOCC1)C2.
What is the InChIKey of 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The InChIKey is FZJKNIXBGPNDNO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-6-22-13-15(1)20-11-14(9-18-4-7-21-8-5-18)10-19-3-2-17-16(19)12-20/h2-3,14-15H,1,4-13H2/t14-,15-/m0/s1.
What are the key properties of 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine has a molecular weight of 306.41 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6R)-8-[(3S)-oxolan-3-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is sourced from PubChem (CID 98817706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).