(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C23H23FN6O2 — CID 118079653

IUPAC(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)nc2N(C(=O)Nc2ccc(F)cc2)C[C@@H]1C
InChIInChI=1S/C23H23FN6O2/c1-14-12-28(23(32)26-18-5-3-17(24)4-6-18)22-21(30(14)15(2)31)10-9-20(27-22)16-11-25-29(13-16)19-7-8-19/h3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,26,32)/t14-/m0/s1
InChIKeyADSBWWCKKDIDGR-AWEZNQCLSA-N
MW434.48 g/mol
LogP4.21
Rot. Bonds3

About (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 118079653) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID118079653
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)nc2N(C(=O)Nc2ccc(F)cc2)C[C@@H]1C
InChIInChI=1S/C23H23FN6O2/c1-14-12-28(23(32)26-18-5-3-17(24)4-6-18)22-21(30(14)15(2)31)10-9-20(27-22)16-11-25-29(13-16)19-7-8-19/h3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,26,32)/t14-/m0/s1
InChIKeyADSBWWCKKDIDGR-AWEZNQCLSA-N
XLogP4.21
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 118079653) is (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)nc2N(C(=O)Nc2ccc(F)cc2)C[C@@H]1C.
What is the InChIKey of (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is ADSBWWCKKDIDGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-12-28(23(32)26-18-5-3-17(24)4-6-18)22-21(30(14)15(2)31)10-9-20(27-22)16-11-25-29(13-16)19-7-8-19/h3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,26,32)/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 118079653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).