N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C20H23N7O — CID 7216437

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCOCC3)nc(NCCc3c[nH]c4ccccc34)nc21
InChIInChI=1S/C20H23N7O/c1-26-18-16(13-23-26)19(27-8-10-28-11-9-27)25-20(24-18)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,12-13,22H,6-11H2,1H3,(H,21,24,25)
InChIKeyIQMMQBXFNFNXIC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 7216437) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID7216437
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCOCC3)nc(NCCc3c[nH]c4ccccc34)nc21
InChIInChI=1S/C20H23N7O/c1-26-18-16(13-23-26)19(27-8-10-28-11-9-27)25-20(24-18)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,12-13,22H,6-11H2,1H3,(H,21,24,25)
InChIKeyIQMMQBXFNFNXIC-UHFFFAOYSA-N
XLogP2.34
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 7216437) is N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cn1ncc2c(N3CCOCC3)nc(NCCc3c[nH]c4ccccc34)nc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is IQMMQBXFNFNXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-26-18-16(13-23-26)19(27-8-10-28-11-9-27)25-20(24-18)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,12-13,22H,6-11H2,1H3,(H,21,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 377.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 7216437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).