6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine

C22H23N7 — CID 90413661

IUPAC6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESc1cncc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1
InChIInChI=1S/C22H23N7/c1-2-15(11-24-6-1)12-27-21-14-25-13-20(28-21)17-5-9-26-22-18(17)10-19(29-22)16-3-7-23-8-4-16/h1-2,5-6,9-11,13-14,16,23H,3-4,7-8,12H2,(H,26,29)(H,27,28)
InChIKeyWGEZACBWMSHTAF-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.49
Rot. Bonds5

About 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine

6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine (PubChem CID 90413661) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
PubChem CID90413661
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESc1cncc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1
InChIInChI=1S/C22H23N7/c1-2-15(11-24-6-1)12-27-21-14-25-13-20(28-21)17-5-9-26-22-18(17)10-19(29-22)16-3-7-23-8-4-16/h1-2,5-6,9-11,13-14,16,23H,3-4,7-8,12H2,(H,26,29)(H,27,28)
InChIKeyWGEZACBWMSHTAF-UHFFFAOYSA-N
XLogP3.49
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine (CID 90413661) is 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine is c1cncc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1.
What is the InChIKey of 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is WGEZACBWMSHTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-2-15(11-24-6-1)12-27-21-14-25-13-20(28-21)17-5-9-26-22-18(17)10-19(29-22)16-3-7-23-8-4-16/h1-2,5-6,9-11,13-14,16,23H,3-4,7-8,12H2,(H,26,29)(H,27,28).
What are the key properties of 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 385.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 90413661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).