N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C20H26N4O2 — CID 97285403

IUPACN,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(C[C@H]1CCOc3ccccc3C1)CC2
InChIInChI=1S/C20H26N4O2/c1-23(2)20(25)19-16-13-24(9-7-17(16)21-22-19)12-14-8-10-26-18-6-4-3-5-15(18)11-14/h3-6,14H,7-13H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyLRHIZGKXTIVJKP-AWEZNQCLSA-N
MW354.45 g/mol
LogP2.11
Rot. Bonds3

About N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 97285403) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID97285403
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(C[C@H]1CCOc3ccccc3C1)CC2
InChIInChI=1S/C20H26N4O2/c1-23(2)20(25)19-16-13-24(9-7-17(16)21-22-19)12-14-8-10-26-18-6-4-3-5-15(18)11-14/h3-6,14H,7-13H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyLRHIZGKXTIVJKP-AWEZNQCLSA-N
XLogP2.11
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 97285403) is N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(C[C@H]1CCOc3ccccc3C1)CC2.
What is the InChIKey of N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LRHIZGKXTIVJKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)20(25)19-16-13-24(9-7-17(16)21-22-19)12-14-8-10-26-18-6-4-3-5-15(18)11-14/h3-6,14H,7-13H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 97285403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).