1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H11N7 — CID 24905210

IUPAC1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C13H11N7/c1-20-13-9(11(14)17-6-18-13)10(19-20)8-4-7-2-3-15-12(7)16-5-8/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPGXQNHGXDFCMOJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.49
Rot. Bonds1

About 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905210) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905210
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C13H11N7/c1-20-13-9(11(14)17-6-18-13)10(19-20)8-4-7-2-3-15-12(7)16-5-8/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPGXQNHGXDFCMOJ-UHFFFAOYSA-N
XLogP1.49
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905210) is 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PGXQNHGXDFCMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c1-20-13-9(11(14)17-6-18-13)10(19-20)8-4-7-2-3-15-12(7)16-5-8/h2-6H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 265.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).