5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile

C19H20N6O — CID 154640955

IUPAC5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCC(C)n1ncc2nc(-c3cncc(C#N)c3)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C19H20N6O/c1-12(2)25-19-17(23-15-3-4-26-11-15)6-16(24-18(19)10-22-25)14-5-13(7-20)8-21-9-14/h5-6,8-10,12,15H,3-4,11H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyDJWFMLSBJVYDQN-OAHLLOKOSA-N
MW348.41 g/mol
LogP3.15
Rot. Bonds4

About 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile

5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile (PubChem CID 154640955) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile
PubChem CID154640955
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCC(C)n1ncc2nc(-c3cncc(C#N)c3)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C19H20N6O/c1-12(2)25-19-17(23-15-3-4-26-11-15)6-16(24-18(19)10-22-25)14-5-13(7-20)8-21-9-14/h5-6,8-10,12,15H,3-4,11H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyDJWFMLSBJVYDQN-OAHLLOKOSA-N
XLogP3.15
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile (CID 154640955) is 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile is CC(C)n1ncc2nc(-c3cncc(C#N)c3)cc(N[C@@H]3CCOC3)c21.
What is the InChIKey of 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile?
The InChIKey is DJWFMLSBJVYDQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12(2)25-19-17(23-15-3-4-26-11-15)6-16(24-18(19)10-22-25)14-5-13(7-20)8-21-9-14/h5-6,8-10,12,15H,3-4,11H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile?
5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[(3R)-oxolan-3-yl]amino]-1-propan-2-ylpyrazolo[4,5-b]pyridin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154640955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).