3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C18H15N5O2 — CID 126473903

IUPAC3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCOc1ccc(Nc2ccnc3c(-c4cccc(O)c4)cnn23)cn1
InChIInChI=1S/C18H15N5O2/c1-25-17-6-5-13(10-20-17)22-16-7-8-19-18-15(11-21-23(16)18)12-3-2-4-14(24)9-12/h2-11,22,24H,1H3
InChIKeySBDQOCYHHAMCBH-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.25
Rot. Bonds4

About 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 126473903) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID126473903
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCOc1ccc(Nc2ccnc3c(-c4cccc(O)c4)cnn23)cn1
InChIInChI=1S/C18H15N5O2/c1-25-17-6-5-13(10-20-17)22-16-7-8-19-18-15(11-21-23(16)18)12-3-2-4-14(24)9-12/h2-11,22,24H,1H3
InChIKeySBDQOCYHHAMCBH-UHFFFAOYSA-N
XLogP3.25
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 126473903) is 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is COc1ccc(Nc2ccnc3c(-c4cccc(O)c4)cnn23)cn1.
What is the InChIKey of 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is SBDQOCYHHAMCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-25-17-6-5-13(10-20-17)22-16-7-8-19-18-15(11-21-23(16)18)12-3-2-4-14(24)9-12/h2-11,22,24H,1H3.
What are the key properties of 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 333.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 126473903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).