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

C23H25N7O2 — CID 135185299

IUPAC1-[5-[3-(3-hydroxy-3-methylbutyl)-1,2-oxazol-5-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(CCC(C)(C)O)no1
InChIInChI=1S/C23H25N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(29-32-20)5-6-23(3,4)31/h7-9,11-14,31H,5-6H2,1-4H3,(H,25,28)
InChIKeyRHEFUXIXJKSSIC-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.87
Rot. Bonds7

About 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

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 (PubChem CID 135185299) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[5-[3-(3-hydroxy-3-methylbutyl)-1,2-oxazol-5-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135185299
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name1-[5-[3-(3-hydroxy-3-methylbutyl)-1,2-oxazol-5-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(CCC(C)(C)O)no1
InChIInChI=1S/C23H25N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(29-32-20)5-6-23(3,4)31/h7-9,11-14,31H,5-6H2,1-4H3,(H,25,28)
InChIKeyRHEFUXIXJKSSIC-UHFFFAOYSA-N
XLogP3.87
TPSA125.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-[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-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139334151
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-[4-[[(1R)-1-cyanoethyl]amino]-5-(1,2-oxazol-5-yl)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406841
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
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
1-[5-[1-(isocyanomethyl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 140883099
1-[5-[4-(2-isocyanoethyl)triazol-1-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 140883104
(2R)-2-tert-butyl-2-[[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-1-yl]methyl]pyrrolidine-1-carboxylic acid
CID 139327064
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206812
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(CCC(C)(C)O)no1.
What is the InChIKey of 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?
The InChIKey is RHEFUXIXJKSSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(29-32-20)5-6-23(3,4)31/h7-9,11-14,31H,5-6H2,1-4H3,(H,25,28).
What are the key properties of 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?
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 has a molecular weight of 431.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135185299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).