1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one

C20H23FN6O2 — CID 146114005

IUPAC1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCCc1nc(C2CN(C(=O)CCc3ccc(OC)c(F)c3)Cc3cn[nH]c32)n[nH]1
InChIInChI=1S/C20H23FN6O2/c1-3-17-23-20(26-24-17)14-11-27(10-13-9-22-25-19(13)14)18(28)7-5-12-4-6-16(29-2)15(21)8-12/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyWNFUGDQRNLCJQM-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.34
Rot. Bonds6

About 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one

1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 146114005) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID146114005
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCCc1nc(C2CN(C(=O)CCc3ccc(OC)c(F)c3)Cc3cn[nH]c32)n[nH]1
InChIInChI=1S/C20H23FN6O2/c1-3-17-23-20(26-24-17)14-11-27(10-13-9-22-25-19(13)14)18(28)7-5-12-4-6-16(29-2)15(21)8-12/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyWNFUGDQRNLCJQM-UHFFFAOYSA-N
XLogP2.34
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-4-(4-methoxyphenyl)butan-1-one
CID 146114012
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119635594
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 97016217
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 86923254
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119517359
3-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734417

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one (CID 146114005) is 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one is CCc1nc(C2CN(C(=O)CCc3ccc(OC)c(F)c3)Cc3cn[nH]c32)n[nH]1.
What is the InChIKey of 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is WNFUGDQRNLCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-3-17-23-20(26-24-17)14-11-27(10-13-9-22-25-19(13)14)18(28)7-5-12-4-6-16(29-2)15(21)8-12/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one?
1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 398.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 146114005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).