5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine

C24H24N8O2 — CID 177372260

IUPAC5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1nccn1Cc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1
InChIInChI=1S/C24H24N8O2/c1-4-22-25-9-11-31(22)15-17-6-5-7-20(27-17)29-21-13-23-28-18(8-10-32(23)30-21)16-12-19(33-2)24(34-3)26-14-16/h5-14H,4,15H2,1-3H3,(H,27,29,30)
InChIKeyCNHCUTNZXTUXPI-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.75
Rot. Bonds8

About 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine

5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 177372260) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID177372260
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1nccn1Cc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1
InChIInChI=1S/C24H24N8O2/c1-4-22-25-9-11-31(22)15-17-6-5-7-20(27-17)29-21-13-23-28-18(8-10-32(23)30-21)16-12-19(33-2)24(34-3)26-14-16/h5-14H,4,15H2,1-3H3,(H,27,29,30)
InChIKeyCNHCUTNZXTUXPI-UHFFFAOYSA-N
XLogP3.75
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 177372260) is 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine is CCc1nccn1Cc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1.
What is the InChIKey of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CNHCUTNZXTUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-4-22-25-9-11-31(22)15-17-6-5-7-20(27-17)29-21-13-23-28-18(8-10-32(23)30-21)16-12-19(33-2)24(34-3)26-14-16/h5-14H,4,15H2,1-3H3,(H,27,29,30).
What are the key properties of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 456.51 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 177372260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).