7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine

C26H30N6O — CID 170352179

IUPAC7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
SMILESCC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(CCN4CCOCC4)cc23)cc2c(N)n[nH]c12
InChIInChI=1S/C26H30N6O/c1-26(2,3)7-4-17-14-18(15-22-23(17)30-31-24(22)27)20-5-8-28-25-21(20)16-19(29-25)6-9-32-10-12-33-13-11-32/h5,8,14-16H,6,9-13H2,1-3H3,(H,28,29)(H3,27,30,31)
InChIKeyCIVFMHICLOEXAO-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.96
Rot. Bonds4

About 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine

7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (PubChem CID 170352179) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
PubChem CID170352179
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
SMILESCC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(CCN4CCOCC4)cc23)cc2c(N)n[nH]c12
InChIInChI=1S/C26H30N6O/c1-26(2,3)7-4-17-14-18(15-22-23(17)30-31-24(22)27)20-5-8-28-25-21(20)16-19(29-25)6-9-32-10-12-33-13-11-32/h5,8,14-16H,6,9-13H2,1-3H3,(H,28,29)(H3,27,30,31)
InChIKeyCIVFMHICLOEXAO-UHFFFAOYSA-N
XLogP3.96
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

5-[2-(cyclohexylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170352536
2-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]propan-2-ol
CID 170351814
methyl 4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 170352350
methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422434
5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine
CID 170352181
1-[2-[3-amino-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-7-yl]ethynyl]cyclohexan-1-ol
CID 170352269
4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
CID 138491339
6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 90413063
7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
CID 170351909
6-[2-(3,3-dimethylbut-1-ynyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 67347348
acetylene;butane;2-hydroxy-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 144973280
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (CID 170352179) is 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is CC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(CCN4CCOCC4)cc23)cc2c(N)n[nH]c12.
What is the InChIKey of 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The InChIKey is CIVFMHICLOEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-26(2,3)7-4-17-14-18(15-22-23(17)30-31-24(22)27)20-5-8-28-25-21(20)16-19(29-25)6-9-32-10-12-33-13-11-32/h5,8,14-16H,6,9-13H2,1-3H3,(H,28,29)(H3,27,30,31).
What are the key properties of 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine has a molecular weight of 442.57 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 170352179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).