1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine

C24H26N6 — CID 175137969

IUPAC1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCCc3ccccc3)nc(C=Cc3cccnc3)nc12
InChIInChI=1S/C24H26N6/c1-3-8-20-22-23(30(2)29-20)24(26-16-14-18-9-5-4-6-10-18)28-21(27-22)13-12-19-11-7-15-25-17-19/h4-7,9-13,15,17H,3,8,14,16H2,1-2H3,(H,26,27,28)
InChIKeyWKEILHNNXLPSDL-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.54
Rot. Bonds8

About 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine

1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 175137969) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID175137969
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCCc3ccccc3)nc(C=Cc3cccnc3)nc12
InChIInChI=1S/C24H26N6/c1-3-8-20-22-23(30(2)29-20)24(26-16-14-18-9-5-4-6-10-18)28-21(27-22)13-12-19-11-7-15-25-17-19/h4-7,9-13,15,17H,3,8,14,16H2,1-2H3,(H,26,27,28)
InChIKeyWKEILHNNXLPSDL-UHFFFAOYSA-N
XLogP4.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 175137969) is 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NCCc3ccccc3)nc(C=Cc3cccnc3)nc12.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WKEILHNNXLPSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-3-8-20-22-23(30(2)29-20)24(26-16-14-18-9-5-4-6-10-18)28-21(27-22)13-12-19-11-7-15-25-17-19/h4-7,9-13,15,17H,3,8,14,16H2,1-2H3,(H,26,27,28).
What are the key properties of 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 398.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 175137969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).