[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone

C17H23N5O2 — CID 97475809

IUPAC[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-20-5-4-16(19-20)17(23)21-7-14(11-24-10-13-2-3-13)8-22-12-18-6-15(22)9-21/h4-6,12-14H,2-3,7-11H2,1H3/t14-/m1/s1
InChIKeyUCGJNNOMEPOFSD-CQSZACIVSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds5

About [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone

[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97475809) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97475809
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-20-5-4-16(19-20)17(23)21-7-14(11-24-10-13-2-3-13)8-22-12-18-6-15(22)9-21/h4-6,12-14H,2-3,7-11H2,1H3/t14-/m1/s1
InChIKeyUCGJNNOMEPOFSD-CQSZACIVSA-N
XLogP1.32
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone (CID 97475809) is [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)n1.
What is the InChIKey of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is UCGJNNOMEPOFSD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-5-4-16(19-20)17(23)21-7-14(11-24-10-13-2-3-13)8-22-12-18-6-15(22)9-21/h4-6,12-14H,2-3,7-11H2,1H3/t14-/m1/s1.
What are the key properties of [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone?
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97475809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).