2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol

C19H19N3O — CID 20784412

IUPAC2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol
SMILESCn1cc(-c2cc3cccnc3[nH]2)c2cc(C(C)(C)O)ccc21
InChIInChI=1S/C19H19N3O/c1-19(2,23)13-6-7-17-14(10-13)15(11-22(17)3)16-9-12-5-4-8-20-18(12)21-16/h4-11,23H,1-3H3,(H,20,21)
InChIKeyJKBXMHQXXAAHSH-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.95
Rot. Bonds2

About 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol

2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol (PubChem CID 20784412) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol
PubChem CID20784412
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol
SMILESCn1cc(-c2cc3cccnc3[nH]2)c2cc(C(C)(C)O)ccc21
InChIInChI=1S/C19H19N3O/c1-19(2,23)13-6-7-17-14(10-13)15(11-22(17)3)16-9-12-5-4-8-20-18(12)21-16/h4-11,23H,1-3H3,(H,20,21)
InChIKeyJKBXMHQXXAAHSH-UHFFFAOYSA-N
XLogP3.95
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol (CID 20784412) is 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol is Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(C)(C)O)ccc21.
What is the InChIKey of 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol?
The InChIKey is JKBXMHQXXAAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2,23)13-6-7-17-14(10-13)15(11-22(17)3)16-9-12-5-4-8-20-18(12)21-16/h4-11,23H,1-3H3,(H,20,21).
What are the key properties of 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol?
2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol has a molecular weight of 305.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]propan-2-ol is sourced from PubChem (CID 20784412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).