1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H12N8O — CID 171406841

IUPAC1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESC[C@H](C#N)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1ccno1
InChIInChI=1S/C18H12N8O/c1-11(6-19)25-15-5-17(21-10-14(15)16-2-3-24-27-16)26-18-13(9-23-26)4-12(7-20)8-22-18/h2-5,8-11H,1H3,(H,21,25)/t11-/m1/s1
InChIKeyFOLYRYIALGSJRW-LLVKDONJSA-N
MW356.35 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 171406841) has the molecular formula C18H12N8O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID171406841
Molecular FormulaC18H12N8O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESC[C@H](C#N)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1ccno1
InChIInChI=1S/C18H12N8O/c1-11(6-19)25-15-5-17(21-10-14(15)16-2-3-24-27-16)26-18-13(9-23-26)4-12(7-20)8-22-18/h2-5,8-11H,1H3,(H,21,25)/t11-/m1/s1
InChIKeyFOLYRYIALGSJRW-LLVKDONJSA-N
XLogP2.67
TPSA129.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139334151
1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135200740
1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135200851
1-[5-[3-(3-hydroxy-3-methylbutyl)-1,2-oxazol-5-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185299
N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide
CID 139334126
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
1-[5-[1-(3-hydroxybutan-2-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185291
1-[5-[1-(isocyanomethyl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 140883099
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(methylamino)pyridine-3-carboxamide
CID 171407015
ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 145219261
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206892
1-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-[4-(2-oxoethyl)cyclohexyl]-1,2-dihydrotriazol-3-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737474

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 171406841) is 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is C[C@H](C#N)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1ccno1.
What is the InChIKey of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is FOLYRYIALGSJRW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H12N8O/c1-11(6-19)25-15-5-17(21-10-14(15)16-2-3-24-27-16)26-18-13(9-23-26)4-12(7-20)8-22-18/h2-5,8-11H,1H3,(H,21,25)/t11-/m1/s1.
What are the key properties of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 356.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 171406841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).