1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C22H24FN5O3 — CID 92635819

IUPAC1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H24FN5O3/c1-14(19-12-27(3)26-15(19)2)25-20(29)13-28-11-17(6-9-21(28)30)22(31)24-10-16-4-7-18(23)8-5-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,31)(H,25,29)/t14-/m0/s1
InChIKeyWIOGVOJHJINCFP-AWEZNQCLSA-N
MW425.46 g/mol
LogP1.84
Rot. Bonds7

About 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 92635819) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID92635819
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H24FN5O3/c1-14(19-12-27(3)26-15(19)2)25-20(29)13-28-11-17(6-9-21(28)30)22(31)24-10-16-4-7-18(23)8-5-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,31)(H,25,29)/t14-/m0/s1
InChIKeyWIOGVOJHJINCFP-AWEZNQCLSA-N
XLogP1.84
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 92635819) is 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O.
What is the InChIKey of 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is WIOGVOJHJINCFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14(19-12-27(3)26-15(19)2)25-20(29)13-28-11-17(6-9-21(28)30)22(31)24-10-16-4-7-18(23)8-5-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,31)(H,25,29)/t14-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).