5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one

C26H28FN7O2 — CID 135160885

IUPAC5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one
SMILESCCc1cc(OC)cc(N(CC2CCC(=O)N2C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F
InChIInChI=1S/C26H28FN7O2/c1-5-16-10-19(36-4)11-22(25(16)27)34(15-18-6-9-24(35)33(18)3)23-8-7-20-26(31-23)30-21(13-28-20)17-12-29-32(2)14-17/h7-8,10-14,18H,5-6,9,15H2,1-4H3
InChIKeyZDHNNBLKNDJSPO-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.89
Rot. Bonds7

About 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one

5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one (PubChem CID 135160885) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one
PubChem CID135160885
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one
SMILESCCc1cc(OC)cc(N(CC2CCC(=O)N2C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F
InChIInChI=1S/C26H28FN7O2/c1-5-16-10-19(36-4)11-22(25(16)27)34(15-18-6-9-24(35)33(18)3)23-8-7-20-26(31-23)30-21(13-28-20)17-12-29-32(2)14-17/h7-8,10-14,18H,5-6,9,15H2,1-4H3
InChIKeyZDHNNBLKNDJSPO-UHFFFAOYSA-N
XLogP3.89
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one (CID 135160885) is 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one is CCc1cc(OC)cc(N(CC2CCC(=O)N2C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1F.
What is the InChIKey of 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is ZDHNNBLKNDJSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-5-16-10-19(36-4)11-22(25(16)27)34(15-18-6-9-24(35)33(18)3)23-8-7-20-26(31-23)30-21(13-28-20)17-12-29-32(2)14-17/h7-8,10-14,18H,5-6,9,15H2,1-4H3.
What are the key properties of 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one?
5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 489.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 135160885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).