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

C24H26N6 — CID 86292431

IUPAC6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H26N6/c1-30-12-8-18(9-13-30)22-14-20-19(7-11-26-24(20)29-22)21-5-2-6-23(28-21)27-16-17-4-3-10-25-15-17/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyUXGWTGHPHHLGRU-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.44
Rot. Bonds5

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

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 86292431) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID86292431
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H26N6/c1-30-12-8-18(9-13-30)22-14-20-19(7-11-26-24(20)29-22)21-5-2-6-23(28-21)27-16-17-4-3-10-25-15-17/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyUXGWTGHPHHLGRU-UHFFFAOYSA-N
XLogP4.44
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)pyridin-2-amine?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 86292431) is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-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)pyridin-2-amine?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine is CN1CCC(c2cc3c(-c4cccc(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)pyridin-2-amine?
The InChIKey is UXGWTGHPHHLGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-30-12-8-18(9-13-30)22-14-20-19(7-11-26-24(20)29-22)21-5-2-6-23(28-21)27-16-17-4-3-10-25-15-17/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(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)pyridin-2-amine?
6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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)pyridin-2-amine is sourced from PubChem (CID 86292431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).