1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C25H25F2N3O3 — CID 144552475

IUPAC1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2nn(CC3c4cc(F)cc(F)c4C[C@H]3O)c3c2CN(C(C)=O)CC3)cc1
InChIInChI=1S/C25H25F2N3O3/c1-14(31)29-8-7-23-21(12-29)25(15-3-5-17(33-2)6-4-15)28-30(23)13-20-18-9-16(26)10-22(27)19(18)11-24(20)32/h3-6,9-10,20,24,32H,7-8,11-13H2,1-2H3/t20?,24-/m1/s1
InChIKeyJYGIOBDOMGJTKF-PIFIWZBESA-N
MW453.49 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 144552475) has the molecular formula C25H25F2N3O3 and a molecular weight of 453.49 g/mol. Its IUPAC name is 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID144552475
Molecular FormulaC25H25F2N3O3
Molecular Weight453.49 g/mol
Exact Mass453.19
IUPAC Name1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2nn(CC3c4cc(F)cc(F)c4C[C@H]3O)c3c2CN(C(C)=O)CC3)cc1
InChIInChI=1S/C25H25F2N3O3/c1-14(31)29-8-7-23-21(12-29)25(15-3-5-17(33-2)6-4-15)28-30(23)13-20-18-9-16(26)10-22(27)19(18)11-24(20)32/h3-6,9-10,20,24,32H,7-8,11-13H2,1-2H3/t20?,24-/m1/s1
InChIKeyJYGIOBDOMGJTKF-PIFIWZBESA-N
XLogP3.44
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 144552461
3-[5-acetyl-1-[[(2R)-6-fluoro-2-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 144552575
3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 144552573
1-[1-(4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 78094410
1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 78094407
1-[1-[(1R,2R)-6-chloro-4-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71515846
1-[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 76850843
1-[1-[(2,4-difluorophenyl)methyl]-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 141360490
3-[5-acetyl-1-[(1R,2R)-4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 71515783
1-[1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 70447751
1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 22293738
1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 150090717

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 144552475) is 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1ccc(-c2nn(CC3c4cc(F)cc(F)c4C[C@H]3O)c3c2CN(C(C)=O)CC3)cc1.
What is the InChIKey of 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is JYGIOBDOMGJTKF-PIFIWZBESA-N. The full InChI is InChI=1S/C25H25F2N3O3/c1-14(31)29-8-7-23-21(12-29)25(15-3-5-17(33-2)6-4-15)28-30(23)13-20-18-9-16(26)10-22(27)19(18)11-24(20)32/h3-6,9-10,20,24,32H,7-8,11-13H2,1-2H3/t20?,24-/m1/s1.
What are the key properties of 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 453.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 144552475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).