1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C22H23F3N6O3 — CID 25216417

IUPAC1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cc(CNC(=O)C(C)N)ccn1
InChIInChI=1S/C22H23F3N6O3/c1-13(26)20(32)28-11-14-7-8-27-19(9-14)31-16(10-18(30-31)22(23,24)25)21(33)29-12-15-5-3-4-6-17(15)34-2/h3-10,13H,11-12,26H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyTYGBDUYCHNTTOS-UHFFFAOYSA-N
MW476.46 g/mol
LogP2.19
Rot. Bonds8

About 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 25216417) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID25216417
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cc(CNC(=O)C(C)N)ccn1
InChIInChI=1S/C22H23F3N6O3/c1-13(26)20(32)28-11-14-7-8-27-19(9-14)31-16(10-18(30-31)22(23,24)25)21(33)29-12-15-5-3-4-6-17(15)34-2/h3-10,13H,11-12,26H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyTYGBDUYCHNTTOS-UHFFFAOYSA-N
XLogP2.19
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[(2-aminopropanoylamino)methyl]thiophen-2-yl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 69299677
1-(3-formylphenyl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59843290
N-[(2-methoxyphenyl)methyl]-1-[3-[[2-(methylamino)ethylamino]methyl]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 46879424
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[(1R)-1-phenylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 44578503
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58832646
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58832671
N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 69095063
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58832609
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58832549
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 25216417) is 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cc(CNC(=O)C(C)N)ccn1.
What is the InChIKey of 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is TYGBDUYCHNTTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c1-13(26)20(32)28-11-14-7-8-27-19(9-14)31-16(10-18(30-31)22(23,24)25)21(33)29-12-15-5-3-4-6-17(15)34-2/h3-10,13H,11-12,26H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 25216417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).