N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate

C48H51F2N11O4S2 — CID 157153772

IUPACN-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2cc(Nc3ncc4sc(C)c(-c5ccc(F)cc5OC)c4n3)cn2)CC1.COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12
InChIInChI=1S/C25H27FN6O3S.C23H24FN5OS/c1-4-35-25(33)31-9-7-18(8-10-31)32-14-17(12-28-32)29-24-27-13-21-23(30-24)22(15(2)36-21)19-6-5-16(26)11-20(19)34-3;1-14-21(18-9-8-15(24)10-19(18)30-2)22-20(31-14)12-25-23(28-22)27-16-11-26-29(13-16)17-6-4-3-5-7-17/h5-6,11-14,18H,4,7-10H2,1-3H3,(H,27,29,30);8-13,17H,3-7H2,1-2H3,(H,25,27,28)
InChIKeyALOJJJAJTSZMHD-UHFFFAOYSA-N
MW948.14 g/mol
LogP11.81
Rot. Bonds11

About N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate

N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 157153772) has the molecular formula C48H51F2N11O4S2 and a molecular weight of 948.14 g/mol. Its IUPAC name is N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound NameN-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID157153772
Molecular FormulaC48H51F2N11O4S2
Molecular Weight948.14 g/mol
Exact Mass947.35
IUPAC NameN-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2cc(Nc3ncc4sc(C)c(-c5ccc(F)cc5OC)c4n3)cn2)CC1.COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12
InChIInChI=1S/C25H27FN6O3S.C23H24FN5OS/c1-4-35-25(33)31-9-7-18(8-10-31)32-14-17(12-28-32)29-24-27-13-21-23(30-24)22(15(2)36-21)19-6-5-16(26)11-20(19)34-3;1-14-21(18-9-8-15(24)10-19(18)30-2)22-20(31-14)12-25-23(28-22)27-16-11-26-29(13-16)17-6-4-3-5-7-17/h5-6,11-14,18H,4,7-10H2,1-3H3,(H,27,29,30);8-13,17H,3-7H2,1-2H3,(H,25,27,28)
InChIKeyALOJJJAJTSZMHD-UHFFFAOYSA-N
XLogP11.81
TPSA159.26 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.14
LogP ≤ 511.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate 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

7-(4-Fluoro-2-methoxyphenyl)-6-methyl-N-(1-(piperidin-4-yl)-1H-pyrazol-4-yl) thieno (3,2-d)pyrimidin-2-amine
CID 126495573
(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide
CID 90115318
(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-piperazine-1-carboxamide
CID 73388724
(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-piperazine-1-carboxamide
CID 73388811
4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86718062
tert-butyl N-[3-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]pentyl]carbamate
CID 126495572
Ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 126495577
2-[4-[4-[[7-(4-Fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
CID 126495604
Tert-butyl 4-[4-[[7-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 126495606
Tert-butyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 126495611
7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
CID 126495624
7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 126495661

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate (CID 157153772) is N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2cc(Nc3ncc4sc(C)c(-c5ccc(F)cc5OC)c4n3)cn2)CC1.COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.
What is the InChIKey of N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is ALOJJJAJTSZMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3S.C23H24FN5OS/c1-4-35-25(33)31-9-7-18(8-10-31)32-14-17(12-28-32)29-24-27-13-21-23(30-24)22(15(2)36-21)19-6-5-16(26)11-20(19)34-3;1-14-21(18-9-8-15(24)10-19(18)30-2)22-20(31-14)12-25-23(28-22)27-16-11-26-29(13-16)17-6-4-3-5-7-17/h5-6,11-14,18H,4,7-10H2,1-3H3,(H,27,29,30);8-13,17H,3-7H2,1-2H3,(H,25,27,28).
What are the key properties of N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate?
N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 948.14 g/mol, XLogP of 11.81, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;ethyl 4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157153772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).