(7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C19H26N4O2 — CID 98812517

IUPAC(7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1
InChIInChI=1S/C19H26N4O2/c1-2-6-20-18(3-1)15-25-14-17-10-22(9-16-5-8-24-13-16)12-19-4-7-21-23(19)11-17/h1-4,6-7,16-17H,5,8-15H2/t16-,17-/m1/s1
InChIKeyMRVOFLPJMVKBNV-IAGOWNOFSA-N
MW342.44 g/mol
LogP1.96
Rot. Bonds6

About (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

(7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 98812517) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID98812517
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1
InChIInChI=1S/C19H26N4O2/c1-2-6-20-18(3-1)15-25-14-17-10-22(9-16-5-8-24-13-16)12-19-4-7-21-23(19)11-17/h1-4,6-7,16-17H,5,8-15H2/t16-,17-/m1/s1
InChIKeyMRVOFLPJMVKBNV-IAGOWNOFSA-N
XLogP1.96
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 98812517) is (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is c1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1.
What is the InChIKey of (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is MRVOFLPJMVKBNV-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-6-20-18(3-1)15-25-14-17-10-22(9-16-5-8-24-13-16)12-19-4-7-21-23(19)11-17/h1-4,6-7,16-17H,5,8-15H2/t16-,17-/m1/s1.
What are the key properties of (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
(7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 342.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-[[(3R)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 98812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).