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

C20H25N5O2 — CID 154640939

IUPAC5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N[C@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C20H25N5O2/c1-4-27-20-15(6-5-8-21-20)16-10-17(23-14-7-9-26-12-14)19-18(24-16)11-22-25(19)13(2)3/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,23,24)/t14-/m0/s1
InChIKeyJBTCDZVDBOMRFT-AWEZNQCLSA-N
MW367.45 g/mol
LogP3.67
Rot. Bonds6

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

5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 154640939) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID154640939
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(N[C@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C20H25N5O2/c1-4-27-20-15(6-5-8-21-20)16-10-17(23-14-7-9-26-12-14)19-18(24-16)11-22-25(19)13(2)3/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,23,24)/t14-/m0/s1
InChIKeyJBTCDZVDBOMRFT-AWEZNQCLSA-N
XLogP3.67
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.67
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-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 154640939) is 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(N[C@H]2CCOC2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is JBTCDZVDBOMRFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-27-20-15(6-5-8-21-20)16-10-17(23-14-7-9-26-12-14)19-18(24-16)11-22-25(19)13(2)3/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 367.45 g/mol, XLogP of 3.67, 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)-N-[(3S)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 154640939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).