5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

C25H27N7O — CID 138692678

IUPAC5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccn3nccc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C25H27N7O/c1-5-33-25-19(9-6-11-26-25)20-14-21(24-23(29-20)17(4)30-32(24)16(2)3)27-15-18-8-7-13-31-22(18)10-12-28-31/h6-14,16H,5,15H2,1-4H3,(H,27,29)
InChIKeyBNYZJWCUZPHDAQ-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.04
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692678) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692678
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cccn3nccc23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C25H27N7O/c1-5-33-25-19(9-6-11-26-25)20-14-21(24-23(29-20)17(4)30-32(24)16(2)3)27-15-18-8-7-13-31-22(18)10-12-28-31/h6-14,16H,5,15H2,1-4H3,(H,27,29)
InChIKeyBNYZJWCUZPHDAQ-UHFFFAOYSA-N
XLogP5.04
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (CID 138692678) is 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2cccn3nccc23)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is BNYZJWCUZPHDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-5-33-25-19(9-6-11-26-25)20-14-21(24-23(29-20)17(4)30-32(24)16(2)3)27-15-18-8-7-13-31-22(18)10-12-28-31/h6-14,16H,5,15H2,1-4H3,(H,27,29).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 441.54 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).