[1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone

C31H32N4O5 — CID 167035611

IUPAC[1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(/C2=C/C=C\CCc3cc(C(=O)N4CCc5cc(C(=O)N6CCOCC6)ccc54)nn32)cc1OC
InChIInChI=1S/C31H32N4O5/c1-38-28-11-9-21(19-29(28)39-2)27-7-5-3-4-6-24-20-25(32-35(24)27)31(37)34-13-12-22-18-23(8-10-26(22)34)30(36)33-14-16-40-17-15-33/h3,5,7-11,18-20H,4,6,12-17H2,1-2H3/b5-3-,27-7-
InChIKeyFDJVQPDUEJQNPQ-VWACDPOISA-N
MW540.62 g/mol
LogP3.97
Rot. Bonds5

About [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone

[1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone (PubChem CID 167035611) has the molecular formula C31H32N4O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone
PubChem CID167035611
Molecular FormulaC31H32N4O5
Molecular Weight540.62 g/mol
Exact Mass540.24
IUPAC Name[1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(/C2=C/C=C\CCc3cc(C(=O)N4CCc5cc(C(=O)N6CCOCC6)ccc54)nn32)cc1OC
InChIInChI=1S/C31H32N4O5/c1-38-28-11-9-21(19-29(28)39-2)27-7-5-3-4-6-24-20-25(32-35(24)27)31(37)34-13-12-22-18-23(8-10-26(22)34)30(36)33-14-16-40-17-15-33/h3,5,7-11,18-20H,4,6,12-17H2,1-2H3/b5-3-,27-7-
InChIKeyFDJVQPDUEJQNPQ-VWACDPOISA-N
XLogP3.97
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 163265009
methyl 3-chloro-4-[[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]amino]benzoate
CID 163265021
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-[(3R,7S)-1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-3,7-dimethylazepan-4-yl]-1-phenylethanone
CID 167035466
[2-[4-[[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
CID 167035488
N-(2,5-dimethoxyphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46259620
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 167400834
(3,4-dimethoxyphenyl)-(7-phenyl-2,3-dihydroazepin-1-yl)methanone
CID 132553693
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24647042
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984

Frequently Asked Questions

What is the IUPAC name of [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone (CID 167035611) is [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone is COc1ccc(/C2=C/C=C\CCc3cc(C(=O)N4CCc5cc(C(=O)N6CCOCC6)ccc54)nn32)cc1OC.
What is the InChIKey of [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is FDJVQPDUEJQNPQ-VWACDPOISA-N. The full InChI is InChI=1S/C31H32N4O5/c1-38-28-11-9-21(19-29(28)39-2)27-7-5-3-4-6-24-20-25(32-35(24)27)31(37)34-13-12-22-18-23(8-10-26(22)34)30(36)33-14-16-40-17-15-33/h3,5,7-11,18-20H,4,6,12-17H2,1-2H3/b5-3-,27-7-.
What are the key properties of [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone?
[1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 540.62 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6Z,8Z)-9-(3,4-dimethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]azocine-2-carbonyl]-2,3-dihydroindol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167035611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).