[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C16H20N4O3 — CID 163309848

IUPAC[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)c12
InChIInChI=1S/C16H20N4O3/c1-18-4-5-20-14(18)10(6-17-20)15(22)19-7-12-11(8-21)13-2-3-16(12,9-19)23-13/h4-6,11-13,21H,2-3,7-9H2,1H3/t11-,12+,13+,16+/m1/s1
InChIKeySJHIIMLTINDBGY-DVZHBHJUSA-N
MW316.36 g/mol
LogP0.28
Rot. Bonds2

About [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 163309848) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID163309848
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)c12
InChIInChI=1S/C16H20N4O3/c1-18-4-5-20-14(18)10(6-17-20)15(22)19-7-12-11(8-21)13-2-3-16(12,9-19)23-13/h4-6,11-13,21H,2-3,7-9H2,1H3/t11-,12+,13+,16+/m1/s1
InChIKeySJHIIMLTINDBGY-DVZHBHJUSA-N
XLogP0.28
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 163309848) is [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is Cn1ccn2ncc(C(=O)N3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)c12.
What is the InChIKey of [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is SJHIIMLTINDBGY-DVZHBHJUSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-18-4-5-20-14(18)10(6-17-20)15(22)19-7-12-11(8-21)13-2-3-16(12,9-19)23-13/h4-6,11-13,21H,2-3,7-9H2,1H3/t11-,12+,13+,16+/m1/s1.
What are the key properties of [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 163309848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).