ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C23H27N9O — CID 145219261

IUPACethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC.CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cn(C2CCOC2)nn1
InChIInChI=1S/C21H21N9O.C2H6/c1-13(2)26-18-6-20(30-21-15(9-25-30)5-14(7-22)8-24-21)23-10-17(18)19-11-29(28-27-19)16-3-4-31-12-16;1-2/h5-6,8-11,13,16H,3-4,12H2,1-2H3,(H,23,26);1-2H3
InChIKeyQBJVPPVTXWQLNT-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.75
Rot. Bonds5

About ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 145219261) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Nameethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID145219261
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Nameethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC.CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cn(C2CCOC2)nn1
InChIInChI=1S/C21H21N9O.C2H6/c1-13(2)26-18-6-20(30-21-15(9-25-30)5-14(7-22)8-24-21)23-10-17(18)19-11-29(28-27-19)16-3-4-31-12-16;1-2/h5-6,8-11,13,16H,3-4,12H2,1-2H3,(H,23,26);1-2H3
InChIKeyQBJVPPVTXWQLNT-UHFFFAOYSA-N
XLogP3.75
TPSA119.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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
(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
1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139334151
1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185298
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
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
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
1-[4-[[(1R)-1-cyanoethyl]amino]-5-[1-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406819
methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
CID 135195588

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 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) is ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC.CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cn(C2CCOC2)nn1.
What is the InChIKey of ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is QBJVPPVTXWQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O.C2H6/c1-13(2)26-18-6-20(30-21-15(9-25-30)5-14(7-22)8-24-21)23-10-17(18)19-11-29(28-27-19)16-3-4-31-12-16;1-2/h5-6,8-11,13,16H,3-4,12H2,1-2H3,(H,23,26);1-2H3.
What are the key properties of ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 445.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 145219261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).