(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine

C21H23FN4 — CID 42198957

IUPAC(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2cccnc2)C1
InChIInChI=1S/C21H23FN4/c1-21(2)10-19(24-13-15-5-4-8-23-12-15)18-14-25-26(20(18)11-21)17-7-3-6-16(22)9-17/h3-9,12,14,19,24H,10-11,13H2,1-2H3/t19-/m1/s1
InChIKeyYIJMJECDOZUKBN-LJQANCHMSA-N
MW350.44 g/mol
LogP4.21
Rot. Bonds4

About (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine

(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine (PubChem CID 42198957) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
PubChem CID42198957
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2cccnc2)C1
InChIInChI=1S/C21H23FN4/c1-21(2)10-19(24-13-15-5-4-8-23-12-15)18-14-25-26(20(18)11-21)17-7-3-6-16(22)9-17/h3-9,12,14,19,24H,10-11,13H2,1-2H3/t19-/m1/s1
InChIKeyYIJMJECDOZUKBN-LJQANCHMSA-N
XLogP4.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine with MolForge

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Related Compounds

3-[[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 26335145
4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
CID 45195645
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97155402
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
CID 154898311
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide
CID 45175775
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide
CID 45214218
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42213796
2-(1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 45216508
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide
CID 97131957
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 97117627
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 72857429
1-[4-[[[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]thiophen-2-yl]ethanone
CID 42526904

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine (CID 42198957) is (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine is CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2cccnc2)C1.
What is the InChIKey of (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is YIJMJECDOZUKBN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23FN4/c1-21(2)10-19(24-13-15-5-4-8-23-12-15)18-14-25-26(20(18)11-21)17-7-3-6-16(22)9-17/h3-9,12,14,19,24H,10-11,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine?
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 350.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 42198957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).