5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

C26H21F2N5O — CID 46203377

IUPAC5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCc1cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc(C)c1OC(F)F
InChIInChI=1S/C26H21F2N5O/c1-15-11-19(12-16(2)23(15)34-25(27)28)26(20-7-4-8-32-22(20)24(29)33-26)18-6-3-5-17(13-18)21-14-30-9-10-31-21/h3-14,25H,1-2H3,(H2,29,33)
InChIKeyANLRXWWZYBTICQ-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.77
Rot. Bonds5

About 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 46203377) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
PubChem CID46203377
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC Name5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCc1cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc(C)c1OC(F)F
InChIInChI=1S/C26H21F2N5O/c1-15-11-19(12-16(2)23(15)34-25(27)28)26(20-7-4-8-32-22(20)24(29)33-26)18-6-3-5-17(13-18)21-14-30-9-10-31-21/h3-14,25H,1-2H3,(H2,29,33)
InChIKeyANLRXWWZYBTICQ-UHFFFAOYSA-N
XLogP4.77
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203681
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
5-[3-cyclopropyl-4-(difluoromethoxy)-5-methylphenyl]-5-phenylpyrrolo[3,4-b]pyridin-7-amine
CID 46204347
5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
CID 141243095
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
CID 46204011
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364675
5-[3-(3-fluoropropoxy)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 46207385

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (CID 46203377) is 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is Cc1cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc(C)c1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is ANLRXWWZYBTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O/c1-15-11-19(12-16(2)23(15)34-25(27)28)26(20-7-4-8-32-22(20)24(29)33-26)18-6-3-5-17(13-18)21-14-30-9-10-31-21/h3-14,25H,1-2H3,(H2,29,33).
What are the key properties of 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 457.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 46203377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).