5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

C22H16N6 — CID 25119893

IUPAC5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccnc21
InChIInChI=1S/C22H16N6/c23-21-20-19(5-2-8-27-20)22(28-21,17-6-9-24-10-7-17)18-4-1-3-15(11-18)16-12-25-14-26-13-16/h1-14H,(H2,23,28)
InChIKeyIKPDKTBNLLAJBD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.94
Rot. Bonds3

About 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 25119893) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
PubChem CID25119893
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC Name5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccnc21
InChIInChI=1S/C22H16N6/c23-21-20-19(5-2-8-27-20)22(28-21,17-6-9-24-10-7-17)18-4-1-3-15(11-18)16-12-25-14-26-13-16/h1-14H,(H2,23,28)
InChIKeyIKPDKTBNLLAJBD-UHFFFAOYSA-N
XLogP2.94
TPSA89.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 24874780
5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 46207382
4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole
CID 141269207
5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203377
3,3-difluoro-8-pyridin-4-yl-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24871744
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 59596313
5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203681
2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
CID 46204011
2-amino-4-phenyl-4-(3-pyrimidin-5-ylphenyl)-1H-imidazol-5-one
CID 143064638
5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
9-(fluoromethoxy)-10-methylspiro[3,6-diazatetracyclo[12.3.1.18,12.02,7]nonadeca-1(18),2,4,6,8,10,12(19),14,16-nonaene-13,5'-pyrrolo[3,4-b]pyridine]-7'-amine
CID 91431690

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (CID 25119893) is 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccnc21.
What is the InChIKey of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is IKPDKTBNLLAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c23-21-20-19(5-2-8-27-20)22(28-21,17-6-9-24-10-7-17)18-4-1-3-15(11-18)16-12-25-14-26-13-16/h1-14H,(H2,23,28).
What are the key properties of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 364.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 25119893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).