[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

C17H20N4O2 — CID 95100621

IUPAC[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C([C@H]1CCCO1)N1CCCn2nc(-c3ccncc3)cc2C1
InChIInChI=1S/C17H20N4O2/c22-17(16-3-1-10-23-16)20-8-2-9-21-14(12-20)11-15(19-21)13-4-6-18-7-5-13/h4-7,11,16H,1-3,8-10,12H2/t16-/m1/s1
InChIKeyQTVWMESOFXPJPN-MRXNPFEDSA-N
MW312.37 g/mol
LogP1.86
Rot. Bonds2

About [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (PubChem CID 95100621) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
PubChem CID95100621
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C([C@H]1CCCO1)N1CCCn2nc(-c3ccncc3)cc2C1
InChIInChI=1S/C17H20N4O2/c22-17(16-3-1-10-23-16)20-8-2-9-21-14(12-20)11-15(19-21)13-4-6-18-7-5-13/h4-7,11,16H,1-3,8-10,12H2/t16-/m1/s1
InChIKeyQTVWMESOFXPJPN-MRXNPFEDSA-N
XLogP1.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (CID 95100621) is [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is O=C([C@H]1CCCO1)N1CCCn2nc(-c3ccncc3)cc2C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The InChIKey is QTVWMESOFXPJPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(16-3-1-10-23-16)20-8-2-9-21-14(12-20)11-15(19-21)13-4-6-18-7-5-13/h4-7,11,16H,1-3,8-10,12H2/t16-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is sourced from PubChem (CID 95100621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).