N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine

C21H27N7 — CID 156634784

IUPACN-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NC3CC3)nc(/C=C/c3nc(C)c(C)nc3C)nc12
InChIInChI=1S/C21H27N7/c1-6-7-17-19-20(28(5)27-17)21(24-15-8-9-15)26-18(25-19)11-10-16-14(4)22-12(2)13(3)23-16/h10-11,15H,6-9H2,1-5H3,(H,24,25,26)/b11-10+
InChIKeyLENSNXWQBYNOCJ-ZHACJKMWSA-N
MW377.50 g/mol
LogP3.78
Rot. Bonds6

About N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine

N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 156634784) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID156634784
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC NameN-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NC3CC3)nc(/C=C/c3nc(C)c(C)nc3C)nc12
InChIInChI=1S/C21H27N7/c1-6-7-17-19-20(28(5)27-17)21(24-15-8-9-15)26-18(25-19)11-10-16-14(4)22-12(2)13(3)23-16/h10-11,15H,6-9H2,1-5H3,(H,24,25,26)/b11-10+
InChIKeyLENSNXWQBYNOCJ-ZHACJKMWSA-N
XLogP3.78
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine (CID 156634784) is N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NC3CC3)nc(/C=C/c3nc(C)c(C)nc3C)nc12.
What is the InChIKey of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LENSNXWQBYNOCJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H27N7/c1-6-7-17-19-20(28(5)27-17)21(24-15-8-9-15)26-18(25-19)11-10-16-14(4)22-12(2)13(3)23-16/h10-11,15H,6-9H2,1-5H3,(H,24,25,26)/b11-10+.
What are the key properties of N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine?
N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 377.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-propyl-5-[(E)-2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 156634784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).