6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C20H33N5O — CID 176695524

IUPAC6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCC(C)(C)N1CCC(CN2CC(N3CCc4ccnn4CC3=O)C2)CC1
InChIInChI=1S/C20H33N5O/c1-20(2,3)23-9-5-16(6-10-23)12-22-13-18(14-22)24-11-7-17-4-8-21-25(17)15-19(24)26/h4,8,16,18H,5-7,9-15H2,1-3H3
InChIKeyHDRDYSBJZGPXPK-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.46
Rot. Bonds3

About 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 176695524) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID176695524
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCC(C)(C)N1CCC(CN2CC(N3CCc4ccnn4CC3=O)C2)CC1
InChIInChI=1S/C20H33N5O/c1-20(2,3)23-9-5-16(6-10-23)12-22-13-18(14-22)24-11-7-17-4-8-21-25(17)15-19(24)26/h4,8,16,18H,5-7,9-15H2,1-3H3
InChIKeyHDRDYSBJZGPXPK-UHFFFAOYSA-N
XLogP1.46
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 176695524) is 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is CC(C)(C)N1CCC(CN2CC(N3CCc4ccnn4CC3=O)C2)CC1.
What is the InChIKey of 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is HDRDYSBJZGPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-20(2,3)23-9-5-16(6-10-23)12-22-13-18(14-22)24-11-7-17-4-8-21-25(17)15-19(24)26/h4,8,16,18H,5-7,9-15H2,1-3H3.
What are the key properties of 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 359.52 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-tert-butylpiperidin-4-yl)methyl]azetidin-3-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 176695524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).