4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine

C20H19N5O — CID 67960015

IUPAC4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine
SMILESCC(C)Oc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)c4)c3c2)n1
InChIInChI=1S/C20H19N5O/c1-12(2)26-20-11-22-10-18(25-20)14-3-4-17-15(7-14)16(9-24-17)13-5-6-23-19(21)8-13/h3-12,24H,1-2H3,(H2,21,23)
InChIKeyAWBPAYDYOYWJNF-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.06
Rot. Bonds4

About 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine

4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine (PubChem CID 67960015) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine
PubChem CID67960015
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine
SMILESCC(C)Oc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)c4)c3c2)n1
InChIInChI=1S/C20H19N5O/c1-12(2)26-20-11-22-10-18(25-20)14-3-4-17-15(7-14)16(9-24-17)13-5-6-23-19(21)8-13/h3-12,24H,1-2H3,(H2,21,23)
InChIKeyAWBPAYDYOYWJNF-UHFFFAOYSA-N
XLogP4.06
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine (CID 67960015) is 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine is CC(C)Oc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)c4)c3c2)n1.
What is the InChIKey of 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine?
The InChIKey is AWBPAYDYOYWJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12(2)26-20-11-22-10-18(25-20)14-3-4-17-15(7-14)16(9-24-17)13-5-6-23-19(21)8-13/h3-12,24H,1-2H3,(H2,21,23).
What are the key properties of 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine?
4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyridin-2-amine is sourced from PubChem (CID 67960015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).