6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine

C22H24N8O — CID 132968992

IUPAC6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESc1cnc2ncn(-c3cc(Nc4ccc(OCCN5CCCCC5)cn4)ncn3)c2c1
InChIInChI=1S/C22H24N8O/c1-2-9-29(10-3-1)11-12-31-17-6-7-19(24-14-17)28-20-13-21(26-15-25-20)30-16-27-22-18(30)5-4-8-23-22/h4-8,13-16H,1-3,9-12H2,(H,24,25,26,28)
InChIKeyCODOEMQMKTTYRW-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.21
Rot. Bonds7

About 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine

6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 132968992) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine
PubChem CID132968992
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine
SMILESc1cnc2ncn(-c3cc(Nc4ccc(OCCN5CCCCC5)cn4)ncn3)c2c1
InChIInChI=1S/C22H24N8O/c1-2-9-29(10-3-1)11-12-31-17-6-7-19(24-14-17)28-20-13-21(26-15-25-20)30-16-27-22-18(30)5-4-8-23-22/h4-8,13-16H,1-3,9-12H2,(H,24,25,26,28)
InChIKeyCODOEMQMKTTYRW-UHFFFAOYSA-N
XLogP3.21
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine (CID 132968992) is 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine is c1cnc2ncn(-c3cc(Nc4ccc(OCCN5CCCCC5)cn4)ncn3)c2c1.
What is the InChIKey of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is CODOEMQMKTTYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-2-9-29(10-3-1)11-12-31-17-6-7-19(24-14-17)28-20-13-21(26-15-25-20)30-16-27-22-18(30)5-4-8-23-22/h4-8,13-16H,1-3,9-12H2,(H,24,25,26,28).
What are the key properties of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine?
6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 416.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[4,5-b]pyridin-1-yl-N-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 132968992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).