2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone

C18H23N5O2 — CID 97483603

IUPAC2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
SMILESCc1ccnc(OC[C@H]2CN(C(=O)CC3CC3)Cc3cncn3C2)n1
InChIInChI=1S/C18H23N5O2/c1-13-4-5-20-18(21-13)25-11-15-8-22(17(24)6-14-2-3-14)10-16-7-19-12-23(16)9-15/h4-5,7,12,14-15H,2-3,6,8-11H2,1H3/t15-/m0/s1
InChIKeyBPOMMSFXODMTCW-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone

2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone (PubChem CID 97483603) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
PubChem CID97483603
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
SMILESCc1ccnc(OC[C@H]2CN(C(=O)CC3CC3)Cc3cncn3C2)n1
InChIInChI=1S/C18H23N5O2/c1-13-4-5-20-18(21-13)25-11-15-8-22(17(24)6-14-2-3-14)10-16-7-19-12-23(16)9-15/h4-5,7,12,14-15H,2-3,6,8-11H2,1H3/t15-/m0/s1
InChIKeyBPOMMSFXODMTCW-HNNXBMFYSA-N
XLogP1.82
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone with MolForge

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Related Compounds

2-Cyclopropyl-1-[3-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97519586
8-(Cyclobutylmethyl)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155826227
2-cyclopropyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]acetamide
CID 97390233
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
CID 97475858
[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
CID 97475859
[(6S)-6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
CID 97475948
[(6R)-6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
CID 97475949
[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
CID 97482679
[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
CID 97482681
2-cyclopropyl-1-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97483605
cyclopent-3-en-1-yl-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97484513
cyclopent-3-en-1-yl-[(6S)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97484516

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone (CID 97483603) is 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone is Cc1ccnc(OC[C@H]2CN(C(=O)CC3CC3)Cc3cncn3C2)n1.
What is the InChIKey of 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is BPOMMSFXODMTCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-4-5-20-18(21-13)25-11-15-8-22(17(24)6-14-2-3-14)10-16-7-19-12-23(16)9-15/h4-5,7,12,14-15H,2-3,6,8-11H2,1H3/t15-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(6R)-6-[(4-methylpyrimidin-2-yl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 97483603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).