6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide

C22H27N7O — CID 135358131

IUPAC6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide
SMILESCCCCNC(=O)c1cc2ccc(-c3nn(C(C)(C)C)c4ncnc(N)c34)cc2[nH]1
InChIInChI=1S/C22H27N7O/c1-5-6-9-24-21(30)16-10-13-7-8-14(11-15(13)27-16)18-17-19(23)25-12-26-20(17)29(28-18)22(2,3)4/h7-8,10-12,27H,5-6,9H2,1-4H3,(H,24,30)(H2,23,25,26)
InChIKeyIPOADJXVHRLADS-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.84
Rot. Bonds5

About 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide

6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide (PubChem CID 135358131) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide
PubChem CID135358131
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide
SMILESCCCCNC(=O)c1cc2ccc(-c3nn(C(C)(C)C)c4ncnc(N)c34)cc2[nH]1
InChIInChI=1S/C22H27N7O/c1-5-6-9-24-21(30)16-10-13-7-8-14(11-15(13)27-16)18-17-19(23)25-12-26-20(17)29(28-18)22(2,3)4/h7-8,10-12,27H,5-6,9H2,1-4H3,(H,24,30)(H2,23,25,26)
InChIKeyIPOADJXVHRLADS-UHFFFAOYSA-N
XLogP3.84
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 135357641
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2-fluoropropyl)-1H-indole-2-carboxamide
CID 167657437
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(cyclopropylmethyl)-1H-indole-2-carboxamide
CID 142452632
[6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-2-yl]-(2-fluoroethylamino)methanol
CID 170024085
tert-butyl 3-[2-(acetylcarbamoyl)-1H-indol-6-yl]-4-aminopyrazolo[3,4-d]pyrimidine-1-carboxylate
CID 146617137
[6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-2-yl]-(benzylamino)methanol
CID 170024094
1-tert-butyl-3-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 152742610
[6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-2-yl]-(1,3,4-thiadiazol-2-ylamino)methanol
CID 170024143
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(cyclopropylmethoxy)-1H-indole-2-carboxamide;6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2-methoxyethoxy)-1H-indole-2-carboxamide;6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide;6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 167665897
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 135358125

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide (CID 135358131) is 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide is CCCCNC(=O)c1cc2ccc(-c3nn(C(C)(C)C)c4ncnc(N)c34)cc2[nH]1.
What is the InChIKey of 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide?
The InChIKey is IPOADJXVHRLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-5-6-9-24-21(30)16-10-13-7-8-14(11-15(13)27-16)18-17-19(23)25-12-26-20(17)29(28-18)22(2,3)4/h7-8,10-12,27H,5-6,9H2,1-4H3,(H,24,30)(H2,23,25,26).
What are the key properties of 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide?
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135358131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).