N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C36H29N5S — CID 145247911

IUPACN-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(=C)C)s6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C36H29N5S/c1-22(2)34-14-15-35(42-34)28-10-7-11-31-29(28)19-33(39-31)36-30-18-25(12-13-32(30)40-41-36)26-17-27(21-37-20-26)38-23(3)16-24-8-5-4-6-9-24/h4-15,17-21,38-39H,1,3,16H2,2H3,(H,40,41)
InChIKeyXIWJQWYWLNGHRX-UHFFFAOYSA-N
MW563.73 g/mol
LogP9.70
Rot. Bonds8

About N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145247911) has the molecular formula C36H29N5S and a molecular weight of 563.73 g/mol. Its IUPAC name is N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID145247911
Molecular FormulaC36H29N5S
Molecular Weight563.73 g/mol
Exact Mass563.21
IUPAC NameN-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(=C)C)s6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C36H29N5S/c1-22(2)34-14-15-35(42-34)28-10-7-11-31-29(28)19-33(39-31)36-30-18-25(12-13-32(30)40-41-36)26-17-27(21-37-20-26)38-23(3)16-24-8-5-4-6-9-24/h4-15,17-21,38-39H,1,3,16H2,2H3,(H,40,41)
InChIKeyXIWJQWYWLNGHRX-UHFFFAOYSA-N
XLogP9.70
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.73
LogP ≤ 59.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137117152
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137115785
N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137116530
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137111559
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527
N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145250131
5-[3-[4-[(1E)-1-(5-fluorothiophen-2-yl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-1H-indazol-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145253795
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137113270
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137116482
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115746
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137114924
N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137088538

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145247911) is N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(=C)C)s6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is XIWJQWYWLNGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N5S/c1-22(2)34-14-15-35(42-34)28-10-7-11-31-29(28)19-33(39-31)36-30-18-25(12-13-32(30)40-41-36)26-17-27(21-37-20-26)38-23(3)16-24-8-5-4-6-9-24/h4-15,17-21,38-39H,1,3,16H2,2H3,(H,40,41).
What are the key properties of N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 563.73 g/mol, XLogP of 9.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145247911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).