6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine

C18H17N7O2 — CID 171783765

IUPAC6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(N)n4)cc3n2)cnc1OC
InChIInChI=1S/C18H17N7O2/c1-26-13-8-11(10-20-18(13)27-2)12-6-7-25-17(21-12)9-16(24-25)23-15-5-3-4-14(19)22-15/h3-10H,1-2H3,(H3,19,22,23,24)
InChIKeyCEANWFYTBJIQQX-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.53
Rot. Bonds5

About 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine

6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine (PubChem CID 171783765) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine
PubChem CID171783765
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(N)n4)cc3n2)cnc1OC
InChIInChI=1S/C18H17N7O2/c1-26-13-8-11(10-20-18(13)27-2)12-6-7-25-17(21-12)9-16(24-25)23-15-5-3-4-14(19)22-15/h3-10H,1-2H3,(H3,19,22,23,24)
InChIKeyCEANWFYTBJIQQX-UHFFFAOYSA-N
XLogP2.53
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine (CID 171783765) is 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine is COc1cc(-c2ccn3nc(Nc4cccc(N)n4)cc3n2)cnc1OC.
What is the InChIKey of 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine?
The InChIKey is CEANWFYTBJIQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-26-13-8-11(10-20-18(13)27-2)12-6-7-25-17(21-12)9-16(24-25)23-15-5-3-4-14(19)22-15/h3-10H,1-2H3,(H3,19,22,23,24).
What are the key properties of 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine?
6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine has a molecular weight of 363.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine is sourced from PubChem (CID 171783765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).