2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide

C25H23N5O2 — CID 70320548

IUPAC2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1ccc3[nH]nc(/C=C/c4cccnc4)c3c1)CN2
InChIInChI=1S/C25H23N5O2/c1-32-19-6-9-22-20(13-19)17(15-27-22)11-25(31)28-18-5-8-24-21(12-18)23(29-30-24)7-4-16-3-2-10-26-14-16/h2-10,12-14,17,27H,11,15H2,1H3,(H,28,31)(H,29,30)/b7-4+
InChIKeyWDQOXNOGBMTIFI-QPJJXVBHSA-N
MW425.49 g/mol
LogP4.67
Rot. Bonds6

About 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide

2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide (PubChem CID 70320548) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide
PubChem CID70320548
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1ccc3[nH]nc(/C=C/c4cccnc4)c3c1)CN2
InChIInChI=1S/C25H23N5O2/c1-32-19-6-9-22-20(13-19)17(15-27-22)11-25(31)28-18-5-8-24-21(12-18)23(29-30-24)7-4-16-3-2-10-26-14-16/h2-10,12-14,17,27H,11,15H2,1H3,(H,28,31)(H,29,30)/b7-4+
InChIKeyWDQOXNOGBMTIFI-QPJJXVBHSA-N
XLogP4.67
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304
5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
CID 167828045
(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol
CID 123780561
1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea
CID 54766879
5-prop-1-enyl-3-(2-pyridin-3-ylethenyl)-1H-indazole
CID 77471558
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
N-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573033
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 80572001
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide (CID 70320548) is 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide is COc1ccc2c(c1)C(CC(=O)Nc1ccc3[nH]nc(/C=C/c4cccnc4)c3c1)CN2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide?
The InChIKey is WDQOXNOGBMTIFI-QPJJXVBHSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-19-6-9-22-20(13-19)17(15-27-22)11-25(31)28-18-5-8-24-21(12-18)23(29-30-24)7-4-16-3-2-10-26-14-16/h2-10,12-14,17,27H,11,15H2,1H3,(H,28,31)(H,29,30)/b7-4+.
What are the key properties of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide?
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 70320548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).