N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C21H28N4O2 — CID 50959976

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)N(C)CC3Cc4ccccc4O3)cc2C1
InChIInChI=1S/C21H28N4O2/c1-15(2)24-9-6-10-25-17(13-24)12-19(22-25)21(26)23(3)14-18-11-16-7-4-5-8-20(16)27-18/h4-5,7-8,12,15,18H,6,9-11,13-14H2,1-3H3
InChIKeyAWJPPXWVXNDBSV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.57
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50959976) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50959976
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)N(C)CC3Cc4ccccc4O3)cc2C1
InChIInChI=1S/C21H28N4O2/c1-15(2)24-9-6-10-25-17(13-24)12-19(22-25)21(26)23(3)14-18-11-16-7-4-5-8-20(16)27-18/h4-5,7-8,12,15,18H,6,9-11,13-14H2,1-3H3
InChIKeyAWJPPXWVXNDBSV-UHFFFAOYSA-N
XLogP2.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 95720501
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169145943
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
CID 171640849
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 26401704
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50959976) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)N1CCCn2nc(C(=O)N(C)CC3Cc4ccccc4O3)cc2C1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is AWJPPXWVXNDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)24-9-6-10-25-17(13-24)12-19(22-25)21(26)23(3)14-18-11-16-7-4-5-8-20(16)27-18/h4-5,7-8,12,15,18H,6,9-11,13-14H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50959976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).