5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C24H26N8O — CID 138692772

IUPAC5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2nccc3nccn23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H26N8O/c1-5-33-24-17(7-6-9-27-24)18-13-19(23-22(29-18)16(4)30-32(23)15(2)3)28-14-21-25-10-8-20-26-11-12-31(20)21/h6-13,15H,5,14H2,1-4H3,(H,28,29)
InChIKeyYKYCEIQQBDUXHL-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.44
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692772) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692772
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2nccc3nccn23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H26N8O/c1-5-33-24-17(7-6-9-27-24)18-13-19(23-22(29-18)16(4)30-32(23)15(2)3)28-14-21-25-10-8-20-26-11-12-31(20)21/h6-13,15H,5,14H2,1-4H3,(H,28,29)
InChIKeyYKYCEIQQBDUXHL-UHFFFAOYSA-N
XLogP4.44
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692772) is 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2nccc3nccn23)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is YKYCEIQQBDUXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-5-33-24-17(7-6-9-27-24)18-13-19(23-22(29-18)16(4)30-32(23)15(2)3)28-14-21-25-10-8-20-26-11-12-31(20)21/h6-13,15H,5,14H2,1-4H3,(H,28,29).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 442.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-N-(imidazo[1,2-c]pyrimidin-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).