N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

C21H35N5O2 — CID 72861242

IUPACN-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-21(2,25-9-11-28-12-10-25)16-24-7-4-8-26-19(15-24)13-18(23-26)14-22-20(27)17-5-3-6-17/h13,17H,3-12,14-16H2,1-2H3,(H,22,27)
InChIKeyATRSASWTUWCBQL-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.62
Rot. Bonds6

About N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 72861242) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID72861242
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-21(2,25-9-11-28-12-10-25)16-24-7-4-8-26-19(15-24)13-18(23-26)14-22-20(27)17-5-3-6-17/h13,17H,3-12,14-16H2,1-2H3,(H,22,27)
InChIKeyATRSASWTUWCBQL-UHFFFAOYSA-N
XLogP1.62
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (CID 72861242) is N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is CC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCOCC1.
What is the InChIKey of N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ATRSASWTUWCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-21(2,25-9-11-28-12-10-25)16-24-7-4-8-26-19(15-24)13-18(23-26)14-22-20(27)17-5-3-6-17/h13,17H,3-12,14-16H2,1-2H3,(H,22,27).
What are the key properties of N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 389.54 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-2-morpholin-4-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 72861242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).