2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol

C25H27N8O3P — CID 135161071

IUPAC2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1cc(OC)c(P)c(N(CC(O)c2cnn(C)c2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C25H27N8O3P/c1-31-12-15(9-27-31)19-11-26-18-5-6-23(30-25(18)29-19)33(14-21(34)16-10-28-32(2)13-16)20-7-17(35-3)8-22(36-4)24(20)37/h5-13,21,34H,14,37H2,1-4H3
InChIKeyOMIVFWWISONZNR-UHFFFAOYSA-N
MW518.52 g/mol
LogP2.55
Rot. Bonds8

About 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 135161071) has the molecular formula C25H27N8O3P and a molecular weight of 518.52 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID135161071
Molecular FormulaC25H27N8O3P
Molecular Weight518.52 g/mol
Exact Mass518.19
IUPAC Name2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1cc(OC)c(P)c(N(CC(O)c2cnn(C)c2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C25H27N8O3P/c1-31-12-15(9-27-31)19-11-26-18-5-6-23(30-25(18)29-19)33(14-21(34)16-10-28-32(2)13-16)20-7-17(35-3)8-22(36-4)24(20)37/h5-13,21,34H,14,37H2,1-4H3
InChIKeyOMIVFWWISONZNR-UHFFFAOYSA-N
XLogP2.55
TPSA116.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol (CID 135161071) is 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol is COc1cc(OC)c(P)c(N(CC(O)c2cnn(C)c2)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.
What is the InChIKey of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is OMIVFWWISONZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N8O3P/c1-31-12-15(9-27-31)19-11-26-18-5-6-23(30-25(18)29-19)33(14-21(34)16-10-28-32(2)13-16)20-7-17(35-3)8-22(36-4)24(20)37/h5-13,21,34H,14,37H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol?
2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 518.52 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 135161071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).