[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol

C29H27N3O — CID 58170729

IUPAC[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cnccc1Nc1ccc(CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H27N3O/c33-29(22-8-2-1-3-9-22)26-20-30-18-17-28(26)32-24-15-13-21(14-16-24)7-6-10-23-19-31-27-12-5-4-11-25(23)27/h1-5,8-9,11-20,29,31,33H,6-7,10H2,(H,30,32)
InChIKeyIJCFDZLNNAYFQR-UHFFFAOYSA-N
MW433.56 g/mol
LogP6.56
Rot. Bonds8

About [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol

[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol (PubChem CID 58170729) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol
PubChem CID58170729
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC Name[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cnccc1Nc1ccc(CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H27N3O/c33-29(22-8-2-1-3-9-22)26-20-30-18-17-28(26)32-24-15-13-21(14-16-24)7-6-10-23-19-31-27-12-5-4-11-25(23)27/h1-5,8-9,11-20,29,31,33H,6-7,10H2,(H,30,32)
InChIKeyIJCFDZLNNAYFQR-UHFFFAOYSA-N
XLogP6.56
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]-phenylmethanol
CID 59555714
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
CID 58170630
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570
2-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]butanal
CID 143202737
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine
CID 58170679
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
CID 58170694
ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine
CID 143202823
2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 164621073
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-(2-methoxyethoxymethyl)pyridin-4-amine
CID 58170578
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol?
The IUPAC name of [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol (CID 58170729) is [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol?
The canonical SMILES for [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol is OC(c1ccccc1)c1cnccc1Nc1ccc(CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol?
The InChIKey is IJCFDZLNNAYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O/c33-29(22-8-2-1-3-9-22)26-20-30-18-17-28(26)32-24-15-13-21(14-16-24)7-6-10-23-19-31-27-12-5-4-11-25(23)27/h1-5,8-9,11-20,29,31,33H,6-7,10H2,(H,30,32).
What are the key properties of [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol?
[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol has a molecular weight of 433.56 g/mol, XLogP of 6.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 58170729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).