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

C21H27N5O2 — CID 142608400

IUPAC5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NC[C@@H]2CCCO2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C21H27N5O2/c1-4-27-21-16(8-5-9-22-21)17-11-18(23-12-15-7-6-10-28-15)20-19(25-17)13-24-26(20)14(2)3/h5,8-9,11,13-15H,4,6-7,10,12H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyHIAMRTZPJJKUES-HNNXBMFYSA-N
MW381.48 g/mol
LogP4.06
Rot. Bonds7

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

5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 142608400) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID142608400
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NC[C@@H]2CCCO2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C21H27N5O2/c1-4-27-21-16(8-5-9-22-21)17-11-18(23-12-15-7-6-10-28-15)20-19(25-17)13-24-26(20)14(2)3/h5,8-9,11,13-15H,4,6-7,10,12H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyHIAMRTZPJJKUES-HNNXBMFYSA-N
XLogP4.06
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.06
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)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 142608400) is 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NC[C@@H]2CCCO2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is HIAMRTZPJJKUES-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-27-21-16(8-5-9-22-21)17-11-18(23-12-15-7-6-10-28-15)20-19(25-17)13-24-26(20)14(2)3/h5,8-9,11,13-15H,4,6-7,10,12H2,1-3H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 381.48 g/mol, XLogP of 4.06, 7 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)-N-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142608400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).