7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine

C23H24F2N6O2 — CID 146304294

IUPAC7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1F
InChIInChI=1S/C23H24F2N6O2/c1-32-18-8-19(33-2)21(25)16(20(18)24)7-13-9-27-23-22(13)30-17(11-28-23)14-10-29-31(12-14)15-3-5-26-6-4-15/h8-12,15,26H,3-7H2,1-2H3,(H,27,28)
InChIKeyCYXJNJIINZEURD-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.63
Rot. Bonds6

About 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine

7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 146304294) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID146304294
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1F
InChIInChI=1S/C23H24F2N6O2/c1-32-18-8-19(33-2)21(25)16(20(18)24)7-13-9-27-23-22(13)30-17(11-28-23)14-10-29-31(12-14)15-3-5-26-6-4-15/h8-12,15,26H,3-7H2,1-2H3,(H,27,28)
InChIKeyCYXJNJIINZEURD-UHFFFAOYSA-N
XLogP3.63
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 136387462
CID 136387462
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 136387443
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 136387444
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-methyl-4-(1-methylpyrazol-4-yl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 164621178
1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164622117
4-[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-fluoro-1H-benzimidazol-5-yl]morpholine
CID 168269454
(2R,6S)-4-[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-fluoro-1H-benzimidazol-5-yl]-2,6-dimethylmorpholine
CID 168271304
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 168281162
7-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 9604912

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 146304294) is 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1F.
What is the InChIKey of 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is CYXJNJIINZEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-32-18-8-19(33-2)21(25)16(20(18)24)7-13-9-27-23-22(13)30-17(11-28-23)14-10-29-31(12-14)15-3-5-26-6-4-15/h8-12,15,26H,3-7H2,1-2H3,(H,27,28).
What are the key properties of 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 454.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 146304294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).