N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C21H24N6O2 — CID 155480043

IUPACN-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1C[C@@H](NC(=O)c2n[nH]c3c2CC(n2cccn2)CC3)COc2ccccc21
InChIInChI=1S/C21H24N6O2/c1-26-12-14(13-29-19-6-3-2-5-18(19)26)23-21(28)20-16-11-15(27-10-4-9-22-27)7-8-17(16)24-25-20/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,23,28)(H,24,25)/t14-,15?/m1/s1
InChIKeyJUEYDYJGEAEROL-GICMACPYSA-N
MW392.46 g/mol
LogP1.96
Rot. Bonds3

About N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 155480043) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID155480043
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1C[C@@H](NC(=O)c2n[nH]c3c2CC(n2cccn2)CC3)COc2ccccc21
InChIInChI=1S/C21H24N6O2/c1-26-12-14(13-29-19-6-3-2-5-18(19)26)23-21(28)20-16-11-15(27-10-4-9-22-27)7-8-17(16)24-25-20/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,23,28)(H,24,25)/t14-,15?/m1/s1
InChIKeyJUEYDYJGEAEROL-GICMACPYSA-N
XLogP1.96
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
CID 12003601
(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125169555
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99930130
N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161464
(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 92628342
5,5-dimethyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4,7-dihydro-1H-pyrano[4,3-d]pyrazole-3-carboxamide;7,7-dimethyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4,5-dihydro-1H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 162104103
N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 175641935
N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618712
N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252
(5S)-N-[(6S)-4-methyl-5-oxo-6,7-dihydro-1H-pyrazolo[5,4-b][1,4]oxazepin-6-yl]-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 163624485
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
CID 126900137

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 155480043) is N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN1C[C@@H](NC(=O)c2n[nH]c3c2CC(n2cccn2)CC3)COc2ccccc21.
What is the InChIKey of N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JUEYDYJGEAEROL-GICMACPYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26-12-14(13-29-19-6-3-2-5-18(19)26)23-21(28)20-16-11-15(27-10-4-9-22-27)7-8-17(16)24-25-20/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,23,28)(H,24,25)/t14-,15?/m1/s1.
What are the key properties of N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 155480043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).