N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide

C16H24N6O2 — CID 97415883

IUPACN-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C16H24N6O2/c1-20-12-13(9-19-20)16(23)18-11-14-10-17-15-3-4-21(7-8-24-2)5-6-22(14)15/h9-10,12H,3-8,11H2,1-2H3,(H,18,23)
InChIKeyHQMZFSCYEDZRBS-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.05
Rot. Bonds6

About N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97415883) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID97415883
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C16H24N6O2/c1-20-12-13(9-19-20)16(23)18-11-14-10-17-15-3-4-21(7-8-24-2)5-6-22(14)15/h9-10,12H,3-8,11H2,1-2H3,(H,18,23)
InChIKeyHQMZFSCYEDZRBS-UHFFFAOYSA-N
XLogP0.05
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 97415883) is N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is COCCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1.
What is the InChIKey of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is HQMZFSCYEDZRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20-12-13(9-19-20)16(23)18-11-14-10-17-15-3-4-21(7-8-24-2)5-6-22(14)15/h9-10,12H,3-8,11H2,1-2H3,(H,18,23).
What are the key properties of N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97415883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).