2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

C20H18N4O — CID 172556509

IUPAC2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCc1ncc(-c2cc3cc(-c4c(C)ccc(O)c4C)cnc3[nH]2)cn1
InChIInChI=1S/C20H18N4O/c1-11-4-5-18(25)12(2)19(11)15-6-14-7-17(24-20(14)23-8-15)16-9-21-13(3)22-10-16/h4-10,25H,1-3H3,(H,23,24)
InChIKeyCNUXOQDACVPLIG-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.32
Rot. Bonds2

About 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 172556509) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID172556509
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCc1ncc(-c2cc3cc(-c4c(C)ccc(O)c4C)cnc3[nH]2)cn1
InChIInChI=1S/C20H18N4O/c1-11-4-5-18(25)12(2)19(11)15-6-14-7-17(24-20(14)23-8-15)16-9-21-13(3)22-10-16/h4-10,25H,1-3H3,(H,23,24)
InChIKeyCNUXOQDACVPLIG-UHFFFAOYSA-N
XLogP4.32
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 172556509) is 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Cc1ncc(-c2cc3cc(-c4c(C)ccc(O)c4C)cnc3[nH]2)cn1.
What is the InChIKey of 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is CNUXOQDACVPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-11-4-5-18(25)12(2)19(11)15-6-14-7-17(24-20(14)23-8-15)16-9-21-13(3)22-10-16/h4-10,25H,1-3H3,(H,23,24).
What are the key properties of 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 172556509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).