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

C23H29N7O — CID 138692706

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCCOc1cnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C23H29N7O/c1-6-9-31-21-13-24-8-7-18(21)19-10-20(25-11-17-12-26-29(5)14-17)23-22(27-19)16(4)28-30(23)15(2)3/h7-8,10,12-15H,6,9,11H2,1-5H3,(H,25,27)
InChIKeyGPAHSXIYBIOUFB-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.52
Rot. Bonds8

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

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692706) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692706
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCCOc1cnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C23H29N7O/c1-6-9-31-21-13-24-8-7-18(21)19-10-20(25-11-17-12-26-29(5)14-17)23-22(27-19)16(4)28-30(23)15(2)3/h7-8,10,12-15H,6,9,11H2,1-5H3,(H,25,27)
InChIKeyGPAHSXIYBIOUFB-UHFFFAOYSA-N
XLogP4.52
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine (CID 138692706) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine is CCCOc1cnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is GPAHSXIYBIOUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-6-9-31-21-13-24-8-7-18(21)19-10-20(25-11-17-12-26-29(5)14-17)23-22(27-19)16(4)28-30(23)15(2)3/h7-8,10,12-15H,6,9,11H2,1-5H3,(H,25,27).
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 419.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-5-(3-propoxy-4-pyridinyl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).