3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol

C19H17N5O — CID 70682823

IUPAC3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol
SMILESCCn1nc(-c2ccnc(Nc3cccc(O)c3)n2)c2ccccc21
InChIInChI=1S/C19H17N5O/c1-2-24-17-9-4-3-8-15(17)18(23-24)16-10-11-20-19(22-16)21-13-6-5-7-14(25)12-13/h3-12,25H,2H2,1H3,(H,20,21,22)
InChIKeyXWZMZPFBKSBOTF-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.96
Rot. Bonds4

About 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol

3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol (PubChem CID 70682823) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol
PubChem CID70682823
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol
SMILESCCn1nc(-c2ccnc(Nc3cccc(O)c3)n2)c2ccccc21
InChIInChI=1S/C19H17N5O/c1-2-24-17-9-4-3-8-15(17)18(23-24)16-10-11-20-19(22-16)21-13-6-5-7-14(25)12-13/h3-12,25H,2H2,1H3,(H,20,21,22)
InChIKeyXWZMZPFBKSBOTF-UHFFFAOYSA-N
XLogP3.96
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol (CID 70682823) is 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol is CCn1nc(-c2ccnc(Nc3cccc(O)c3)n2)c2ccccc21.
What is the InChIKey of 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol?
The InChIKey is XWZMZPFBKSBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-24-17-9-4-3-8-15(17)18(23-24)16-10-11-20-19(22-16)21-13-6-5-7-14(25)12-13/h3-12,25H,2H2,1H3,(H,20,21,22).
What are the key properties of 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol?
3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol has a molecular weight of 331.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 70682823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).