N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide

C35H30N6O — CID 145247992

IUPACN-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide
SMILESC/C=C\C(=C/C(=C\N)c1ccc2c(c1)c(-c1cc3c(-c4cccnc4)cccc3[nH]1)nn2C)NC(=O)c1ccccc1
InChIInChI=1S/C35H30N6O/c1-3-9-27(38-35(42)23-10-5-4-6-11-23)18-26(21-36)24-15-16-33-30(19-24)34(40-41(33)2)32-20-29-28(13-7-14-31(29)39-32)25-12-8-17-37-22-25/h3-22,39H,36H2,1-2H3,(H,38,42)/b9-3-,26-21+,27-18+
InChIKeyWVJRVPPZVJLSNF-GQWVJQONSA-N
MW550.67 g/mol
LogP6.97
Rot. Bonds7

About N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide

N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide (PubChem CID 145247992) has the molecular formula C35H30N6O and a molecular weight of 550.67 g/mol. Its IUPAC name is N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide.

Molecular Properties

Compound NameN-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide
PubChem CID145247992
Molecular FormulaC35H30N6O
Molecular Weight550.67 g/mol
Exact Mass550.25
IUPAC NameN-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide
SMILESC/C=C\C(=C/C(=C\N)c1ccc2c(c1)c(-c1cc3c(-c4cccnc4)cccc3[nH]1)nn2C)NC(=O)c1ccccc1
InChIInChI=1S/C35H30N6O/c1-3-9-27(38-35(42)23-10-5-4-6-11-23)18-26(21-36)24-15-16-33-30(19-24)34(40-41(33)2)32-20-29-28(13-7-14-31(29)39-32)25-12-8-17-37-22-25/h3-22,39H,36H2,1-2H3,(H,38,42)/b9-3-,26-21+,27-18+
InChIKeyWVJRVPPZVJLSNF-GQWVJQONSA-N
XLogP6.97
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide
CID 145248189
(1E,3E)-2-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-4-methoxy-6-methylhepta-1,3,5-trien-1-amine
CID 145248012
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137115199
N-[(1E,3Z)-2-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]penta-1,3-dienyl]methanimine
CID 137087096
(3E,5E)-N-(1-cyclobutylethenyl)-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 154654848
2-pyridin-3-yl-1H-indole-4-carboxamide
CID 22014956
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
3-(4-pyridin-3-yl-1H-indol-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114642
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115245
5-(5-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 145254746
N-[(3E,5E)-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-yl]cyclobutanecarboxamide
CID 144667677

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide?
The IUPAC name of N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide (CID 145247992) is N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide.
What is the SMILES notation for N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide?
The canonical SMILES for N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide is C/C=C\C(=C/C(=C\N)c1ccc2c(c1)c(-c1cc3c(-c4cccnc4)cccc3[nH]1)nn2C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide?
The InChIKey is WVJRVPPZVJLSNF-GQWVJQONSA-N. The full InChI is InChI=1S/C35H30N6O/c1-3-9-27(38-35(42)23-10-5-4-6-11-23)18-26(21-36)24-15-16-33-30(19-24)34(40-41(33)2)32-20-29-28(13-7-14-31(29)39-32)25-12-8-17-37-22-25/h3-22,39H,36H2,1-2H3,(H,38,42)/b9-3-,26-21+,27-18+.
What are the key properties of N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide?
N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide has a molecular weight of 550.67 g/mol, XLogP of 6.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5Z)-1-amino-2-[1-methyl-3-(4-pyridin-3-yl-1H-indol-2-yl)indazol-5-yl]hepta-1,3,5-trien-4-yl]benzamide is sourced from PubChem (CID 145247992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).