[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone

C22H19F2N3O2 — CID 31259672

IUPAC[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESO=C([C@H]1COc2ccccc2C1)N1CCc2[nH]nc(-c3cccc(F)c3F)c2C1
InChIInChI=1S/C22H19F2N3O2/c23-17-6-3-5-15(20(17)24)21-16-11-27(9-8-18(16)25-26-21)22(28)14-10-13-4-1-2-7-19(13)29-12-14/h1-7,14H,8-12H2,(H,25,26)/t14-/m1/s1
InChIKeyZPRKPQRPRJEJIX-CQSZACIVSA-N
MW395.41 g/mol
LogP3.49
Rot. Bonds2

About [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone

[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone (PubChem CID 31259672) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone.

Molecular Properties

Compound Name[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone
PubChem CID31259672
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESO=C([C@H]1COc2ccccc2C1)N1CCc2[nH]nc(-c3cccc(F)c3F)c2C1
InChIInChI=1S/C22H19F2N3O2/c23-17-6-3-5-15(20(17)24)21-16-11-27(9-8-18(16)25-26-21)22(28)14-10-13-4-1-2-7-19(13)29-12-14/h1-7,14H,8-12H2,(H,25,26)/t14-/m1/s1
InChIKeyZPRKPQRPRJEJIX-CQSZACIVSA-N
XLogP3.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46986438
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 108726093
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 45250420
1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
5-(3,4-dihydro-2H-chromene-3-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 72854974
5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97116376
cycloheptyl-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 45210720
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
(2R)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 56754577

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone?
The IUPAC name of [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone (CID 31259672) is [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone.
What is the SMILES notation for [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone?
The canonical SMILES for [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone is O=C([C@H]1COc2ccccc2C1)N1CCc2[nH]nc(-c3cccc(F)c3F)c2C1.
What is the InChIKey of [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone?
The InChIKey is ZPRKPQRPRJEJIX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c23-17-6-3-5-15(20(17)24)21-16-11-27(9-8-18(16)25-26-21)22(28)14-10-13-4-1-2-7-19(13)29-12-14/h1-7,14H,8-12H2,(H,25,26)/t14-/m1/s1.
What are the key properties of [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone?
[3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone has a molecular weight of 395.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone is sourced from PubChem (CID 31259672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).