4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

C26H31FN8S — CID 164709708

IUPAC4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)sc2c1nc(C)n2C1CCCC1
InChIInChI=1S/C26H31FN8S/c1-16-22-25(35(17(2)30-22)18-6-4-5-7-18)36-24(16)23-20(27)15-29-26(32-23)31-21-9-8-19(14-28-21)34-12-10-33(3)11-13-34/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,28,29,31,32)
InChIKeyPFLXZFWYLSCABB-UHFFFAOYSA-N
MW506.66 g/mol
LogP5.32
Rot. Bonds5

About 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 164709708) has the molecular formula C26H31FN8S and a molecular weight of 506.66 g/mol. Its IUPAC name is 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID164709708
Molecular FormulaC26H31FN8S
Molecular Weight506.66 g/mol
Exact Mass506.24
IUPAC Name4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)sc2c1nc(C)n2C1CCCC1
InChIInChI=1S/C26H31FN8S/c1-16-22-25(35(17(2)30-22)18-6-4-5-7-18)36-24(16)23-20(27)15-29-26(32-23)31-21-9-8-19(14-28-21)34-12-10-33(3)11-13-34/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,28,29,31,32)
InChIKeyPFLXZFWYLSCABB-UHFFFAOYSA-N
XLogP5.32
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Ulecaciclib
CID 126535127
Ikk-IN-3
CID 10215156
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083789
4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083790
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 164709708) is 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)sc2c1nc(C)n2C1CCCC1.
What is the InChIKey of 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is PFLXZFWYLSCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8S/c1-16-22-25(35(17(2)30-22)18-6-4-5-7-18)36-24(16)23-20(27)15-29-26(32-23)31-21-9-8-19(14-28-21)34-12-10-33(3)11-13-34/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,28,29,31,32).
What are the key properties of 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 506.66 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 164709708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).