2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide

C35H41FN8O3 — CID 142493247

IUPAC2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide
SMILESCc1c(CN2CCC(Nc3ncncc3Oc3ccc(F)cc3C(=O)N(C)C)CC2)ccc2c1cc(C#N)n2CC1CN(C)CCO1
InChIInChI=1S/C35H41FN8O3/c1-23-24(5-7-31-29(23)16-27(17-37)44(31)21-28-20-42(4)13-14-46-28)19-43-11-9-26(10-12-43)40-34-33(18-38-22-39-34)47-32-8-6-25(36)15-30(32)35(45)41(2)3/h5-8,15-16,18,22,26,28H,9-14,19-21H2,1-4H3,(H,38,39,40)
InChIKeyKFGSBDROAXMUSJ-UHFFFAOYSA-N
MW640.76 g/mol
LogP4.65
Rot. Bonds9

About 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide

2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide (PubChem CID 142493247) has the molecular formula C35H41FN8O3 and a molecular weight of 640.76 g/mol. Its IUPAC name is 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide
PubChem CID142493247
Molecular FormulaC35H41FN8O3
Molecular Weight640.76 g/mol
Exact Mass640.33
IUPAC Name2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide
SMILESCc1c(CN2CCC(Nc3ncncc3Oc3ccc(F)cc3C(=O)N(C)C)CC2)ccc2c1cc(C#N)n2CC1CN(C)CCO1
InChIInChI=1S/C35H41FN8O3/c1-23-24(5-7-31-29(23)16-27(17-37)44(31)21-28-20-42(4)13-14-46-28)19-43-11-9-26(10-12-43)40-34-33(18-38-22-39-34)47-32-8-6-25(36)15-30(32)35(45)41(2)3/h5-8,15-16,18,22,26,28H,9-14,19-21H2,1-4H3,(H,38,39,40)
InChIKeyKFGSBDROAXMUSJ-UHFFFAOYSA-N
XLogP4.65
TPSA111.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.76
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[1-[[2-cyano-4-methyl-1-[2-(2-methyl-1-methylsulfonylpiperidin-4-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 142493185
2-[2-[[1-[[2-cyano-4-methyl-1-[2-[4-(methylsulfamoyl)piperidin-1-yl]ethyl]indol-5-yl]methyl]piperidin-4-yl]amino]-6-oxocyclohexa-1,3-dien-1-yl]oxy-5-fluoro-N,N-dimethylbenzamide
CID 157107583
5-chloro-2-[3-[[1-[[2-cyano-4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrazin-2-yl]oxy-N,N-dimethylbenzamide
CID 166559363
2-[[4-[[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]amino]pyrimidin-5-yl]amino]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 142493256
5-[[4-[[6-(fluoromethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethyl]indole-2-carbonitrile
CID 170062352
1-(dimethylphosphanylmethyl)-4-methyl-5-[[4-[[6-methyl-5-[(E)-4,4,4-trifluoro-2-methylbut-1-enyl]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 145039377
4-methyl-1-[2-(1-propanoylpiperidin-4-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 145039396
4-methyl-1-[2-(1-prop-2-enoylpiperidin-4-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 130375993
4-methyl-1-[(2-methylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 130440594
1-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;phosphorosomethane
CID 142437559
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 118888674
N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-methoxyacetamide
CID 130443861

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide (CID 142493247) is 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide is Cc1c(CN2CCC(Nc3ncncc3Oc3ccc(F)cc3C(=O)N(C)C)CC2)ccc2c1cc(C#N)n2CC1CN(C)CCO1.
What is the InChIKey of 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide?
The InChIKey is KFGSBDROAXMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN8O3/c1-23-24(5-7-31-29(23)16-27(17-37)44(31)21-28-20-42(4)13-14-46-28)19-43-11-9-26(10-12-43)40-34-33(18-38-22-39-34)47-32-8-6-25(36)15-30(32)35(45)41(2)3/h5-8,15-16,18,22,26,28H,9-14,19-21H2,1-4H3,(H,38,39,40).
What are the key properties of 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide?
2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide has a molecular weight of 640.76 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[[2-cyano-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methyl]piperidin-4-yl]amino]pyrimidin-5-yl]oxy-5-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 142493247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).