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

C23H25N5O — CID 170351814

IUPAC2-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]propan-2-ol
SMILESCC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(C(C)(C)O)cc23)cc2c(N)n[nH]c12
InChIInChI=1S/C23H25N5O/c1-22(2,3)8-6-13-10-14(11-17-19(13)27-28-20(17)24)15-7-9-25-21-16(15)12-18(26-21)23(4,5)29/h7,9-12,29H,1-5H3,(H,25,26)(H3,24,27,28)
InChIKeyWLVJZEURJXIGHP-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.31
Rot. Bonds2

About 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

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 (PubChem CID 170351814) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]propan-2-ol
PubChem CID170351814
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]propan-2-ol
SMILESCC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(C(C)(C)O)cc23)cc2c(N)n[nH]c12
InChIInChI=1S/C23H25N5O/c1-22(2,3)8-6-13-10-14(11-17-19(13)27-28-20(17)24)15-7-9-25-21-16(15)12-18(26-21)23(4,5)29/h7,9-12,29H,1-5H3,(H,25,26)(H3,24,27,28)
InChIKeyWLVJZEURJXIGHP-UHFFFAOYSA-N
XLogP4.31
TPSA103.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 170352350
5-[2-(cyclohexylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170352536
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
5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170351888
1-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]-3-phenylurea
CID 170352100
[4-[3-amino-7-(3-amino-3-methylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamic acid
CID 170351977
1-[2-[3-amino-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-7-yl]ethynyl]cyclohexan-1-ol
CID 170352269
7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine
CID 170352257
7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
CID 170351909
methyl N-[4-[3-amino-7-[2-(1-hydroxycyclopentyl)ethynyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422445
2-(3-amino-1H-pyrazol-5-yl)propan-2-ol
CID 90246948
5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide
CID 59406223

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C#Cc1cc(-c2ccnc3[nH]c(C(C)(C)O)cc23)cc2c(N)n[nH]c12.
What is the InChIKey of 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?
The InChIKey is WLVJZEURJXIGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-22(2,3)8-6-13-10-14(11-17-19(13)27-28-20(17)24)15-7-9-25-21-16(15)12-18(26-21)23(4,5)29/h7,9-12,29H,1-5H3,(H,25,26)(H3,24,27,28).
What are the key properties of 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?
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 has a molecular weight of 387.49 g/mol, XLogP of 4.31, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170351814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).