4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide

C24H29N5O2 — CID 118939331

IUPAC4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide
SMILESCC1(C)CCc2c(Cc3ccccn3)nn(-c3ccc(C(N)=O)c(NCCO)c3)c2C1
InChIInChI=1S/C24H29N5O2/c1-24(2)9-8-18-21(13-16-5-3-4-10-26-16)28-29(22(18)15-24)17-6-7-19(23(25)31)20(14-17)27-11-12-30/h3-7,10,14,27,30H,8-9,11-13,15H2,1-2H3,(H2,25,31)
InChIKeyGIFDARJOSKDDPS-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.88
Rot. Bonds7

About 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide

4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide (PubChem CID 118939331) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide.

Molecular Properties

Compound Name4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide
PubChem CID118939331
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide
SMILESCC1(C)CCc2c(Cc3ccccn3)nn(-c3ccc(C(N)=O)c(NCCO)c3)c2C1
InChIInChI=1S/C24H29N5O2/c1-24(2)9-8-18-21(13-16-5-3-4-10-26-16)28-29(22(18)15-24)17-6-7-19(23(25)31)20(14-17)27-11-12-30/h3-7,10,14,27,30H,8-9,11-13,15H2,1-2H3,(H2,25,31)
InChIKeyGIFDARJOSKDDPS-UHFFFAOYSA-N
XLogP2.88
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 59828665
2-[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 90075515
2-(3-methoxypropylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952874
2-[3-(2-ethoxyethoxy)propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 162785596
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 118728492
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-(2-hydroxypropylamino)benzamide
CID 68719371
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]benzamide
CID 173033588
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729
2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 118728494
2-(3-morpholin-4-ylpropylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66953039
(2S)-2-amino-2-[1-[2-carbamoyl-5-[6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]anilino]cyclohexyl]acetic acid
CID 118939231
4-[3-(aminomethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide;methanesulfonic acid
CID 87286388

Frequently Asked Questions

What is the IUPAC name of 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide?
The IUPAC name of 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide (CID 118939331) is 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide.
What is the SMILES notation for 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide?
The canonical SMILES for 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide is CC1(C)CCc2c(Cc3ccccn3)nn(-c3ccc(C(N)=O)c(NCCO)c3)c2C1.
What is the InChIKey of 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide?
The InChIKey is GIFDARJOSKDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-24(2)9-8-18-21(13-16-5-3-4-10-26-16)28-29(22(18)15-24)17-6-7-19(23(25)31)20(14-17)27-11-12-30/h3-7,10,14,27,30H,8-9,11-13,15H2,1-2H3,(H2,25,31).
What are the key properties of 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide?
4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide has a molecular weight of 419.53 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,6-dimethyl-3-(pyridin-2-ylmethyl)-5,7-dihydro-4H-indazol-1-yl]-2-(2-hydroxyethylamino)benzamide is sourced from PubChem (CID 118939331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).