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

C23H29N7O — CID 155376493

IUPAC1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)CC
InChIInChI=1S/C23H29N7O/c1-6-15(3)30-22-20(25-12-17-13-26-29(5)14-17)11-19(27-21(22)16(4)28-30)18-9-8-10-24-23(18)31-7-2/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
InChIKeyQMKLGMIELBMNCL-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.52
Rot. Bonds8

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

1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155376493) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
PubChem CID155376493
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)CC
InChIInChI=1S/C23H29N7O/c1-6-15(3)30-22-20(25-12-17-13-26-29(5)14-17)11-19(27-21(22)16(4)28-30)18-9-8-10-24-23(18)31-7-2/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
InChIKeyQMKLGMIELBMNCL-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 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (CID 155376493) is 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)CC.
What is the InChIKey of 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is QMKLGMIELBMNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-6-15(3)30-22-20(25-12-17-13-26-29(5)14-17)11-19(27-21(22)16(4)28-30)18-9-8-10-24-23(18)31-7-2/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27).
What are the key properties of 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]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 1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).