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

C24H31N5O — CID 86292429

IUPAC6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCC5CCOCC5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H31N5O/c1-29-11-6-18(7-12-29)22-15-20-19(5-10-25-24(20)28-22)21-3-2-4-23(27-21)26-16-17-8-13-30-14-9-17/h2-5,10,15,17-18H,6-9,11-14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeySRKUKIVBBDFOGG-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.27
Rot. Bonds5

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

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 86292429) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID86292429
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCC5CCOCC5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H31N5O/c1-29-11-6-18(7-12-29)22-15-20-19(5-10-25-24(20)28-22)21-3-2-4-23(27-21)26-16-17-8-13-30-14-9-17/h2-5,10,15,17-18H,6-9,11-14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeySRKUKIVBBDFOGG-UHFFFAOYSA-N
XLogP4.27
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.27
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-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 86292429) is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-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-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine is CN1CCC(c2cc3c(-c4cccc(NCC5CCOCC5)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-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is SRKUKIVBBDFOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-29-11-6-18(7-12-29)22-15-20-19(5-10-25-24(20)28-22)21-3-2-4-23(27-21)26-16-17-8-13-30-14-9-17/h2-5,10,15,17-18H,6-9,11-14,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 405.55 g/mol, XLogP of 4.27, 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-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 86292429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).