5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine

C23H22N8O2 — CID 177372259

IUPAC5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(Cn5cnc(C)c5)n4)cc3n2)cnc1OC
InChIInChI=1S/C23H22N8O2/c1-15-12-30(14-25-15)13-17-5-4-6-20(26-17)28-21-10-22-27-18(7-8-31(22)29-21)16-9-19(32-2)23(33-3)24-11-16/h4-12,14H,13H2,1-3H3,(H,26,28,29)
InChIKeyRWYIHTNRCHCINH-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.50
Rot. Bonds7

About 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine

5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 177372259) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID177372259
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(Cn5cnc(C)c5)n4)cc3n2)cnc1OC
InChIInChI=1S/C23H22N8O2/c1-15-12-30(14-25-15)13-17-5-4-6-20(26-17)28-21-10-22-27-18(7-8-31(22)29-21)16-9-19(32-2)23(33-3)24-11-16/h4-12,14H,13H2,1-3H3,(H,26,28,29)
InChIKeyRWYIHTNRCHCINH-UHFFFAOYSA-N
XLogP3.50
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.50
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-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 177372259) is 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-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-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine is COc1cc(-c2ccn3nc(Nc4cccc(Cn5cnc(C)c5)n4)cc3n2)cnc1OC.
What is the InChIKey of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RWYIHTNRCHCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-15-12-30(14-25-15)13-17-5-4-6-20(26-17)28-21-10-22-27-18(7-8-31(22)29-21)16-9-19(32-2)23(33-3)24-11-16/h4-12,14H,13H2,1-3H3,(H,26,28,29).
What are the key properties of 5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine?
5-(5,6-dimethoxy-3-pyridinyl)-N-[6-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 442.48 g/mol, XLogP of 3.50, 7 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-[(4-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 177372259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).