N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline

C24H19N5 — CID 143234929

IUPACN-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
SMILESc1ccc(CNc2cccc(-c3c[nH]c4ncc(-c5ccccn5)nc34)c2)cc1
InChIInChI=1S/C24H19N5/c1-2-7-17(8-3-1)14-26-19-10-6-9-18(13-19)20-15-27-24-23(20)29-22(16-28-24)21-11-4-5-12-25-21/h1-13,15-16,26H,14H2,(H,27,28)
InChIKeyZYFIRGSBXXFWHN-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.30
Rot. Bonds5

About N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline

N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline (PubChem CID 143234929) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline.

Molecular Properties

Compound NameN-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
PubChem CID143234929
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC NameN-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
SMILESc1ccc(CNc2cccc(-c3c[nH]c4ncc(-c5ccccn5)nc34)c2)cc1
InChIInChI=1S/C24H19N5/c1-2-7-17(8-3-1)14-26-19-10-6-9-18(13-19)20-15-27-24-23(20)29-22(16-28-24)21-11-4-5-12-25-21/h1-13,15-16,26H,14H2,(H,27,28)
InChIKeyZYFIRGSBXXFWHN-UHFFFAOYSA-N
XLogP5.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
CID 122609020
N-[3-[5-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-methyl-2-oxopentanamide
CID 134445691
N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 11581661
N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 11522531
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine
CID 175335566
2-[3-(pyridin-4-ylmethylamino)phenyl]phenol
CID 142075907
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
N-[3-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-2-sulfonamide
CID 122608737
6-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)pyridin-2-amine
CID 161281145
2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile
CID 118267864
N-[3-[7-(3-propan-2-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
The IUPAC name of N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline (CID 143234929) is N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline.
What is the SMILES notation for N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
The canonical SMILES for N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline is c1ccc(CNc2cccc(-c3c[nH]c4ncc(-c5ccccn5)nc34)c2)cc1.
What is the InChIKey of N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
The InChIKey is ZYFIRGSBXXFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-2-7-17(8-3-1)14-26-19-10-6-9-18(13-19)20-15-27-24-23(20)29-22(16-28-24)21-11-4-5-12-25-21/h1-13,15-16,26H,14H2,(H,27,28).
What are the key properties of N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline has a molecular weight of 377.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline is sourced from PubChem (CID 143234929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).