3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide

C27H26N6O2 — CID 164586856

IUPAC3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
SMILESCC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C27H26N6O2/c1-18(2)26-19(16-28)4-3-5-23(26)27(34)31-21-7-6-20-17-30-33(24(20)14-21)22-8-9-29-25(15-22)32-10-12-35-13-11-32/h3-9,14-15,17-18H,10-13H2,1-2H3,(H,31,34)
InChIKeyLYLWWGBGJQQSIU-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.50
Rot. Bonds5

About 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide

3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide (PubChem CID 164586856) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
PubChem CID164586856
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
SMILESCC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C27H26N6O2/c1-18(2)26-19(16-28)4-3-5-23(26)27(34)31-21-7-6-20-17-30-33(24(20)14-21)22-8-9-29-25(15-22)32-10-12-35-13-11-32/h3-9,14-15,17-18H,10-13H2,1-2H3,(H,31,34)
InChIKeyLYLWWGBGJQQSIU-UHFFFAOYSA-N
XLogP4.50
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
CID 164587334
3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen
CID 164587215
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164586786
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 175755919
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylmorpholin-3-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164587401
6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
CID 164587242
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
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
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
CID 145028092

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide?
The IUPAC name of 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide (CID 164586856) is 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide.
What is the SMILES notation for 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide?
The canonical SMILES for 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide is CC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide?
The InChIKey is LYLWWGBGJQQSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-18(2)26-19(16-28)4-3-5-23(26)27(34)31-21-7-6-20-17-30-33(24(20)14-21)22-8-9-29-25(15-22)32-10-12-35-13-11-32/h3-9,14-15,17-18H,10-13H2,1-2H3,(H,31,34).
What are the key properties of 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide?
3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide has a molecular weight of 466.55 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide is sourced from PubChem (CID 164586856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).