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

C23H25N7 — CID 86293584

IUPAC6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESCN1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C23H25N7/c1-30-9-5-17(6-10-30)20-11-19-18(4-8-26-23(19)29-20)21-14-25-15-22(28-21)27-13-16-3-2-7-24-12-16/h2-4,7-8,11-12,14-15,17H,5-6,9-10,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyQHTWRGYJSVUELK-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.84
Rot. Bonds5

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

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine (PubChem CID 86293584) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
PubChem CID86293584
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESCN1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C23H25N7/c1-30-9-5-17(6-10-30)20-11-19-18(4-8-26-23(19)29-20)21-14-25-15-22(28-21)27-13-16-3-2-7-24-12-16/h2-4,7-8,11-12,14-15,17H,5-6,9-10,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyQHTWRGYJSVUELK-UHFFFAOYSA-N
XLogP3.84
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine (CID 86293584) is 6-[2-(1-methylpiperidin-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-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine is CN1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is QHTWRGYJSVUELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-30-9-5-17(6-10-30)20-11-19-18(4-8-26-23(19)29-20)21-14-25-15-22(28-21)27-13-16-3-2-7-24-12-16/h2-4,7-8,11-12,14-15,17H,5-6,9-10,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 86293584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).