2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide

C28H23N7O2 — CID 67501829

IUPAC2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
SMILESCC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccon3)c2)c2nccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C28H23N7O2/c1-16(2)26-25-20(18-13-17-5-3-4-6-22(17)31-15-18)9-11-30-28(25)35(33-26)19-7-8-21(27(29)36)23(14-19)32-24-10-12-37-34-24/h3-16H,1-2H3,(H2,29,36)(H,32,34)
InChIKeyUOJJWTVTSVHLJU-UHFFFAOYSA-N
MW489.54 g/mol
LogP5.59
Rot. Bonds6

About 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide

2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide (PubChem CID 67501829) has the molecular formula C28H23N7O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
PubChem CID67501829
Molecular FormulaC28H23N7O2
Molecular Weight489.54 g/mol
Exact Mass489.19
IUPAC Name2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
SMILESCC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccon3)c2)c2nccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C28H23N7O2/c1-16(2)26-25-20(18-13-17-5-3-4-6-22(17)31-15-18)9-11-30-28(25)35(33-26)19-7-8-21(27(29)36)23(14-19)32-24-10-12-37-34-24/h3-16H,1-2H3,(H2,29,36)(H,32,34)
InChIKeyUOJJWTVTSVHLJU-UHFFFAOYSA-N
XLogP5.59
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-Morpholinylamino)benzoic acid
CID 16730109
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 10389147
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 49871895
2-[(4-Hydroxycyclohexyl)amino]-4-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 49871988
2-[(4-Hydroxycyclohexyl)amino]-4-[3-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500276
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 67501291
2-[(4-Hydroxycyclohexyl)amino]-4-(3-methyl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 49871892
4-(3-Ethyl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 49871893
4-(3-Propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)-2-(2-pyridin-2-ylethylamino)benzamide
CID 49872080
4-{3-Isopropyl-4-(quinolin-3-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-2-(2-morpholinoethylamino)benzamide
CID 49872081
4-{3-Isopropyl-4-(quinolin-3-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-2-{4-(pyrrolidine-1-carbonyl)phenylamino}benzamide
CID 49872082
2-[3-(Dimethylamino)propylamino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 67500374

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The IUPAC name of 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide (CID 67501829) is 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide.
What is the SMILES notation for 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The canonical SMILES for 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide is CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccon3)c2)c2nccc(-c3cnc4ccccc4c3)c12.
What is the InChIKey of 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The InChIKey is UOJJWTVTSVHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O2/c1-16(2)26-25-20(18-13-17-5-3-4-6-22(17)31-15-18)9-11-30-28(25)35(33-26)19-7-8-21(27(29)36)23(14-19)32-24-10-12-37-34-24/h3-16H,1-2H3,(H2,29,36)(H,32,34).
What are the key properties of 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide has a molecular weight of 489.54 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide is sourced from PubChem (CID 67501829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).