3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

C28H39N7 — CID 171563228

IUPAC3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
SMILESCC.CC.Cc1ccc2nc(-c3cccnc3N)n(-c3ccc(CN4CCC(N)CC4)cc3)c2n1
InChIInChI=1S/C24H27N7.2C2H6/c1-16-4-9-21-24(28-16)31(23(29-21)20-3-2-12-27-22(20)26)19-7-5-17(6-8-19)15-30-13-10-18(25)11-14-30;2*1-2/h2-9,12,18H,10-11,13-15,25H2,1H3,(H2,26,27);2*1-2H3
InChIKeyLQQKUCOEVIWFKV-UHFFFAOYSA-N
MW473.67 g/mol
LogP5.35
Rot. Bonds4

About 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (PubChem CID 171563228) has the molecular formula C28H39N7 and a molecular weight of 473.67 g/mol. Its IUPAC name is 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
PubChem CID171563228
Molecular FormulaC28H39N7
Molecular Weight473.67 g/mol
Exact Mass473.33
IUPAC Name3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
SMILESCC.CC.Cc1ccc2nc(-c3cccnc3N)n(-c3ccc(CN4CCC(N)CC4)cc3)c2n1
InChIInChI=1S/C24H27N7.2C2H6/c1-16-4-9-21-24(28-16)31(23(29-21)20-3-2-12-27-22(20)26)19-7-5-17(6-8-19)15-30-13-10-18(25)11-14-30;2*1-2/h2-9,12,18H,10-11,13-15,25H2,1H3,(H2,26,27);2*1-2H3
InChIKeyLQQKUCOEVIWFKV-UHFFFAOYSA-N
XLogP5.35
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.67
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The IUPAC name of 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (CID 171563228) is 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The canonical SMILES for 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is CC.CC.Cc1ccc2nc(-c3cccnc3N)n(-c3ccc(CN4CCC(N)CC4)cc3)c2n1.
What is the InChIKey of 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The InChIKey is LQQKUCOEVIWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7.2C2H6/c1-16-4-9-21-24(28-16)31(23(29-21)20-3-2-12-27-22(20)26)19-7-5-17(6-8-19)15-30-13-10-18(25)11-14-30;2*1-2/h2-9,12,18H,10-11,13-15,25H2,1H3,(H2,26,27);2*1-2H3.
What are the key properties of 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane has a molecular weight of 473.67 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 171563228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).