2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol

C16H16N2O — CID 20529109

IUPAC2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol
SMILESCC(C)c1[nH]c2ccc(O)cc2c1-c1ccncc1
InChIInChI=1S/C16H16N2O/c1-10(2)16-15(11-5-7-17-8-6-11)13-9-12(19)3-4-14(13)18-16/h3-10,18-19H,1-2H3
InChIKeyCIXPNPWVGBFXQK-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.06
Rot. Bonds2

About 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol

2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol (PubChem CID 20529109) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol.

Molecular Properties

Compound Name2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol
PubChem CID20529109
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol
SMILESCC(C)c1[nH]c2ccc(O)cc2c1-c1ccncc1
InChIInChI=1S/C16H16N2O/c1-10(2)16-15(11-5-7-17-8-6-11)13-9-12(19)3-4-14(13)18-16/h3-10,18-19H,1-2H3
InChIKeyCIXPNPWVGBFXQK-UHFFFAOYSA-N
XLogP4.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol?
The IUPAC name of 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol (CID 20529109) is 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol.
What is the SMILES notation for 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol?
The canonical SMILES for 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol is CC(C)c1[nH]c2ccc(O)cc2c1-c1ccncc1.
What is the InChIKey of 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol?
The InChIKey is CIXPNPWVGBFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10(2)16-15(11-5-7-17-8-6-11)13-9-12(19)3-4-14(13)18-16/h3-10,18-19H,1-2H3.
What are the key properties of 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol?
2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol has a molecular weight of 252.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-pyridin-4-yl-1H-indol-5-ol is sourced from PubChem (CID 20529109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).