N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine

C21H20N8O — CID 178046775

IUPACN-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCNc1cc(C(C)Oc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)c2nccnc2n1
InChIInChI=1S/C21H20N8O/c1-12(15-9-18(22-2)26-21-20(15)23-6-7-24-21)30-14-4-5-17-16(8-14)19(28-27-17)13-10-25-29(3)11-13/h4-12H,1-3H3,(H,27,28)(H,22,24,26)
InChIKeyXUBQIXKJMHABEN-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine

N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 178046775) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID178046775
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCNc1cc(C(C)Oc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)c2nccnc2n1
InChIInChI=1S/C21H20N8O/c1-12(15-9-18(22-2)26-21-20(15)23-6-7-24-21)30-14-4-5-17-16(8-14)19(28-27-17)13-10-25-29(3)11-13/h4-12H,1-3H3,(H,27,28)(H,22,24,26)
InChIKeyXUBQIXKJMHABEN-UHFFFAOYSA-N
XLogP3.48
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
CID 171830430
5-[1-[[3-[1-(3-methylsulfonylcyclobutyl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]ethyl]quinoxaline
CID 171830458
methyl N-[[5-[(1R)-1-[7-(cyclopropylamino)pyrido[3,4-b]pyrazin-5-yl]ethoxy]-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]carbamate
CID 178171004
propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol
CID 165127433
5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
CID 171408846
3-[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]-5-[1-(3,5-difluorophenyl)ethoxy]-1H-indazole
CID 174223277
sodium [5-[(1R)-1-[7-(cyclopropylamino)pyrido[3,4-b]pyrazin-5-yl]ethoxy]-3-(1-methylpyrazol-4-yl)indazol-1-yl]-[(2-methylpropan-2-yl)oxy]phosphinate
CID 178170994
3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156577910
3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 140816111
N-ethyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 138715676
3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156578148
N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
CID 78321525

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine (CID 178046775) is N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine is CNc1cc(C(C)Oc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)c2nccnc2n1.
What is the InChIKey of N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is XUBQIXKJMHABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-12(15-9-18(22-2)26-21-20(15)23-6-7-24-21)30-14-4-5-17-16(8-14)19(28-27-17)13-10-25-29(3)11-13/h4-12H,1-3H3,(H,27,28)(H,22,24,26).
What are the key properties of N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine?
N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 400.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 178046775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).