5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C22H27N7O — CID 155768026

IUPAC5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCC2=NC(C)C=N2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H27N7O/c1-6-30-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)26-19)21-20(27-17)15(5)28-29(21)13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,24,27)
InChIKeyBXPVJOYIFAQHQB-UHFFFAOYSA-N
MW405.51 g/mol
LogP4.06
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155768026) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID155768026
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCC2=NC(C)C=N2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H27N7O/c1-6-30-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)26-19)21-20(27-17)15(5)28-29(21)13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,24,27)
InChIKeyBXPVJOYIFAQHQB-UHFFFAOYSA-N
XLogP4.06
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.06
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-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 155768026) is 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCC2=NC(C)C=N2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is BXPVJOYIFAQHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-6-30-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)26-19)21-20(27-17)15(5)28-29(21)13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,24,27).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 405.51 g/mol, XLogP of 4.06, 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-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155768026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).