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

C20H23N7O — CID 138687997

IUPAC5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N[C@@H](C)c2cnn(C)c2)c2c(cnn2C)n1
InChIInChI=1S/C20H23N7O/c1-5-28-20-15(7-6-8-21-20)16-9-17(19-18(25-16)11-23-27(19)4)24-13(2)14-10-22-26(3)12-14/h6-13H,5H2,1-4H3,(H,24,25)/t13-/m0/s1
InChIKeyPRZKTPKTSVRPRD-ZDUSSCGKSA-N
MW377.45 g/mol
LogP3.34
Rot. Bonds6

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

5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138687997) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138687997
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N[C@@H](C)c2cnn(C)c2)c2c(cnn2C)n1
InChIInChI=1S/C20H23N7O/c1-5-28-20-15(7-6-8-21-20)16-9-17(19-18(25-16)11-23-27(19)4)24-13(2)14-10-22-26(3)12-14/h6-13H,5H2,1-4H3,(H,24,25)/t13-/m0/s1
InChIKeyPRZKTPKTSVRPRD-ZDUSSCGKSA-N
XLogP3.34
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.34
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)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine (CID 138687997) is 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(N[C@@H](C)c2cnn(C)c2)c2c(cnn2C)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is PRZKTPKTSVRPRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N7O/c1-5-28-20-15(7-6-8-21-20)16-9-17(19-18(25-16)11-23-27(19)4)24-13(2)14-10-22-26(3)12-14/h6-13H,5H2,1-4H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 377.45 g/mol, XLogP of 3.34, 6 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)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138687997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).