N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine

C22H21N9O2 — CID 147778138

IUPACN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1cc(OC)cc(N(CC2=NCN=N2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C22H21N9O2/c1-30-11-14(9-26-30)19-10-23-18-4-5-21(28-22(18)27-19)31(12-20-24-13-25-29-20)15-6-16(32-2)8-17(7-15)33-3/h4-11H,12-13H2,1-3H3
InChIKeyHHGDFJMYXUSASD-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.40
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 147778138) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID147778138
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1cc(OC)cc(N(CC2=NCN=N2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C22H21N9O2/c1-30-11-14(9-26-30)19-10-23-18-4-5-21(28-22(18)27-19)31(12-20-24-13-25-29-20)15-6-16(32-2)8-17(7-15)33-3/h4-11H,12-13H2,1-3H3
InChIKeyHHGDFJMYXUSASD-UHFFFAOYSA-N
XLogP3.40
TPSA115.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine (CID 147778138) is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine is COc1cc(OC)cc(N(CC2=NCN=N2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is HHGDFJMYXUSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-30-11-14(9-26-30)19-10-23-18-4-5-21(28-22(18)27-19)31(12-20-24-13-25-29-20)15-6-16(32-2)8-17(7-15)33-3/h4-11H,12-13H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 443.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 147778138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).