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

C19H23N5O2 — CID 154640950

IUPAC5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N[C@H]2CCOC2)c2c(cnn2CC)n1
InChIInChI=1S/C19H23N5O2/c1-3-24-18-16(22-13-7-9-25-12-13)10-15(23-17(18)11-21-24)14-6-5-8-20-19(14)26-4-2/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyUXZFMELJCXGOCQ-ZDUSSCGKSA-N
MW353.43 g/mol
LogP3.11
Rot. Bonds6

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

5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 154640950) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine
PubChem CID154640950
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N[C@H]2CCOC2)c2c(cnn2CC)n1
InChIInChI=1S/C19H23N5O2/c1-3-24-18-16(22-13-7-9-25-12-13)10-15(23-17(18)11-21-24)14-6-5-8-20-19(14)26-4-2/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyUXZFMELJCXGOCQ-ZDUSSCGKSA-N
XLogP3.11
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine (CID 154640950) is 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(N[C@H]2CCOC2)c2c(cnn2CC)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is UXZFMELJCXGOCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-24-18-16(22-13-7-9-25-12-13)10-15(23-17(18)11-21-24)14-6-5-8-20-19(14)26-4-2/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 353.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(3S)-oxolan-3-yl]pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 154640950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).