2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile

C17H15N7 — CID 135911753

IUPAC2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile
SMILESCC(C)n1nc(-c2cc3cc(C#N)ccc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C17H15N7/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)13-6-11-5-10(7-18)3-4-12(11)22-13/h3-6,8-9,22H,1-2H3,(H2,19,20,21)
InChIKeyUPAWMIJMCTTYQN-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.01
Rot. Bonds2

About 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile (PubChem CID 135911753) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile
PubChem CID135911753
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile
SMILESCC(C)n1nc(-c2cc3cc(C#N)ccc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C17H15N7/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)13-6-11-5-10(7-18)3-4-12(11)22-13/h3-6,8-9,22H,1-2H3,(H2,19,20,21)
InChIKeyUPAWMIJMCTTYQN-UHFFFAOYSA-N
XLogP3.01
TPSA109.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile (CID 135911753) is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile is CC(C)n1nc(-c2cc3cc(C#N)ccc3[nH]2)c2c(N)ncnc21.
What is the InChIKey of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile?
The InChIKey is UPAWMIJMCTTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)13-6-11-5-10(7-18)3-4-12(11)22-13/h3-6,8-9,22H,1-2H3,(H2,19,20,21).
What are the key properties of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile?
2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile has a molecular weight of 317.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 135911753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).