3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide

C20H19F3N4O2 — CID 147139230

IUPAC3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
SMILESC[C@@H](CC(=O)Cc1cc2[nH]nc(NC(=O)CC(F)(F)F)c2cn1)c1ccccc1
InChIInChI=1S/C20H19F3N4O2/c1-12(13-5-3-2-4-6-13)7-15(28)8-14-9-17-16(11-24-14)19(27-26-17)25-18(29)10-20(21,22)23/h2-6,9,11-12H,7-8,10H2,1H3,(H2,25,26,27,29)/t12-/m0/s1
InChIKeyBRTVXAOTOOFLHD-LBPRGKRZSA-N
MW404.39 g/mol
LogP4.15
Rot. Bonds7

About 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide

3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide (PubChem CID 147139230) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
PubChem CID147139230
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
SMILESC[C@@H](CC(=O)Cc1cc2[nH]nc(NC(=O)CC(F)(F)F)c2cn1)c1ccccc1
InChIInChI=1S/C20H19F3N4O2/c1-12(13-5-3-2-4-6-13)7-15(28)8-14-9-17-16(11-24-14)19(27-26-17)25-18(29)10-20(21,22)23/h2-6,9,11-12H,7-8,10H2,1H3,(H2,25,26,27,29)/t12-/m0/s1
InChIKeyBRTVXAOTOOFLHD-LBPRGKRZSA-N
XLogP4.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one
CID 147330396
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024
1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea
CID 118638534
3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide
CID 146090733
(4S)-1-[1-(4-fluorophenyl)-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 160932939
N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
CID 60969558
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
(4S)-1-[3-(2-fluoro-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 148560025
methyl N-[6-[[(1S)-2-methoxy-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395363
(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one
CID 161007273

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide (CID 147139230) is 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide is C[C@@H](CC(=O)Cc1cc2[nH]nc(NC(=O)CC(F)(F)F)c2cn1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The InChIKey is BRTVXAOTOOFLHD-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12(13-5-3-2-4-6-13)7-15(28)8-14-9-17-16(11-24-14)19(27-26-17)25-18(29)10-20(21,22)23/h2-6,9,11-12H,7-8,10H2,1H3,(H2,25,26,27,29)/t12-/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide has a molecular weight of 404.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide is sourced from PubChem (CID 147139230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).