(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C27H29FN4O4 — CID 67277239

IUPAC(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCOC[C@@H](O)Cn1nc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)cc1C
InChIInChI=1S/C27H29FN4O4/c1-16-4-5-19(25-10-17(2)32(31-25)14-21(33)15-36-3)11-24(16)30-27(35)23-13-29-26(34)12-22(23)18-6-8-20(28)9-7-18/h4-11,13,21-22,33H,12,14-15H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-/m0/s1
InChIKeyTZXDDWPEPLGQQC-VXKWHMMOSA-N
MW492.55 g/mol
LogP3.44
Rot. Bonds8

About (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 67277239) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID67277239
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC Name(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCOC[C@@H](O)Cn1nc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)cc1C
InChIInChI=1S/C27H29FN4O4/c1-16-4-5-19(25-10-17(2)32(31-25)14-21(33)15-36-3)11-24(16)30-27(35)23-13-29-26(34)12-22(23)18-6-8-20(28)9-7-18/h4-11,13,21-22,33H,12,14-15H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-/m0/s1
InChIKeyTZXDDWPEPLGQQC-VXKWHMMOSA-N
XLogP3.44
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 67277239) is (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is COC[C@@H](O)Cn1nc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)cc1C.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is TZXDDWPEPLGQQC-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-16-4-5-19(25-10-17(2)32(31-25)14-21(33)15-36-3)11-24(16)30-27(35)23-13-29-26(34)12-22(23)18-6-8-20(28)9-7-18/h4-11,13,21-22,33H,12,14-15H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 67277239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).