2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C24H32N6O3 — CID 24936285

IUPAC2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCC1(C)CC(=O)c2c(CC3CC3)nn(-c3ncc(C(N)=O)c(NC4CCCCC4O)n3)c2C1
InChIInChI=1S/C24H32N6O3/c1-24(2)10-17-20(19(32)11-24)16(9-13-7-8-13)29-30(17)23-26-12-14(21(25)33)22(28-23)27-15-5-3-4-6-18(15)31/h12-13,15,18,31H,3-11H2,1-2H3,(H2,25,33)(H,26,27,28)
InChIKeyLMRLMKMPJSGWJE-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.58
Rot. Bonds6

About 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 24936285) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID24936285
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCC1(C)CC(=O)c2c(CC3CC3)nn(-c3ncc(C(N)=O)c(NC4CCCCC4O)n3)c2C1
InChIInChI=1S/C24H32N6O3/c1-24(2)10-17-20(19(32)11-24)16(9-13-7-8-13)29-30(17)23-26-12-14(21(25)33)22(28-23)27-15-5-3-4-6-18(15)31/h12-13,15,18,31H,3-11H2,1-2H3,(H2,25,33)(H,26,27,28)
InChIKeyLMRLMKMPJSGWJE-UHFFFAOYSA-N
XLogP2.58
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

[2-[[5-carbamoyl-2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]pyrimidin-4-yl]amino]cyclohexyl] 2-aminoacetate
CID 24936418
4-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-5-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzamide
CID 59828691
2-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 59686874
5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide
CID 59686879
2-[(2-hydroxycyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 68720834
4-[3-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl]-3-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzamide
CID 118939606
2-[[2-[bis(cyclopropylmethyl)amino]cyclohexyl]amino]-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]benzamide
CID 68720970
[5-carbamoyl-4-[[(1S,2S)-2-hydroxycyclopentyl]amino]pyrimidin-2-yl]methanesulfinic acid
CID 138692577
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729
4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 123646313
4-[3-(aminomethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide;methanesulfonic acid
CID 87286388
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 24936285) is 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is CC1(C)CC(=O)c2c(CC3CC3)nn(-c3ncc(C(N)=O)c(NC4CCCCC4O)n3)c2C1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is LMRLMKMPJSGWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-24(2)10-17-20(19(32)11-24)16(9-13-7-8-13)29-30(17)23-26-12-14(21(25)33)22(28-23)27-15-5-3-4-6-18(15)31/h12-13,15,18,31H,3-11H2,1-2H3,(H2,25,33)(H,26,27,28).
What are the key properties of 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 24936285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).