(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

C24H32FN5 — CID 26390947

IUPAC(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C24H32FN5/c1-15(2)29-17(4)20(16(3)28-29)13-26-22-11-24(5,6)12-23-21(22)14-27-30(23)19-9-7-18(25)8-10-19/h7-10,14-15,22,26H,11-13H2,1-6H3/t22-/m0/s1
InChIKeyJMOHCDPSIBGHGQ-QFIPXVFZSA-N
MW409.55 g/mol
LogP5.21
Rot. Bonds5

About (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 26390947) has the molecular formula C24H32FN5 and a molecular weight of 409.55 g/mol. Its IUPAC name is (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
PubChem CID26390947
Molecular FormulaC24H32FN5
Molecular Weight409.55 g/mol
Exact Mass409.26
IUPAC Name(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C24H32FN5/c1-15(2)29-17(4)20(16(3)28-29)13-26-22-11-24(5,6)12-23-21(22)14-27-30(23)19-9-7-18(25)8-10-19/h7-10,14-15,22,26H,11-13H2,1-6H3/t22-/m0/s1
InChIKeyJMOHCDPSIBGHGQ-QFIPXVFZSA-N
XLogP5.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
CID 45195645
(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 42514602
3-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 45239308
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46959442
1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45172656
1-[4-[[[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]thiophen-2-yl]ethanone
CID 42526904
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methoxyacetamide
CID 42153757
4-[4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45200260
2-amino-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide;hydrochloride
CID 154898809
2-(diethylamino)-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25364173
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
CID 42564878
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (CID 26390947) is (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is Cc1nn(C(C)C)c(C)c1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is JMOHCDPSIBGHGQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32FN5/c1-15(2)29-17(4)20(16(3)28-29)13-26-22-11-24(5,6)12-23-21(22)14-27-30(23)19-9-7-18(25)8-10-19/h7-10,14-15,22,26H,11-13H2,1-6H3/t22-/m0/s1.
What are the key properties of (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 409.55 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 26390947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).