N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C19H24N6 — CID 70732532

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCCN2CCc3ccccc32)c2cnn(C)c2n1
InChIInChI=1S/C19H24N6/c1-3-6-17-22-18(15-13-21-24(2)19(15)23-17)20-10-12-25-11-9-14-7-4-5-8-16(14)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,20,22,23)
InChIKeyOYOBCOKXCQVFNR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70732532) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70732532
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCCN2CCc3ccccc32)c2cnn(C)c2n1
InChIInChI=1S/C19H24N6/c1-3-6-17-22-18(15-13-21-24(2)19(15)23-17)20-10-12-25-11-9-14-7-4-5-8-16(14)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,20,22,23)
InChIKeyOYOBCOKXCQVFNR-UHFFFAOYSA-N
XLogP2.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70732532) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCCN2CCc3ccccc32)c2cnn(C)c2n1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OYOBCOKXCQVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-6-17-22-18(15-13-21-24(2)19(15)23-17)20-10-12-25-11-9-14-7-4-5-8-16(14)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,20,22,23).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70732532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).