N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

C50H43N11O2S2 — CID 146424640

IUPACN-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(-c2cccc(COCCNc3nc(-c4nccn4C)nc4sc(-c5ccncc5)c(-c5ccccc5)c34)n2)nc2sc(-c3ccncc3)c(-c3ccccc3)c12
InChIInChI=1S/C50H43N11O2S2/c1-31(29-62-3)55-46-41-39(33-13-8-5-9-14-33)43(35-19-23-52-24-20-35)65-50(41)59-44(57-46)37-16-10-15-36(56-37)30-63-28-26-53-45-40-38(32-11-6-4-7-12-32)42(34-17-21-51-22-18-34)64-49(40)60-47(58-45)48-54-25-27-61(48)2/h4-25,27,31H,26,28-30H2,1-3H3,(H,53,58,60)(H,55,57,59)
InChIKeyGVFFMXAGEXJYKU-UHFFFAOYSA-N
MW894.10 g/mol
LogP10.69
Rot. Bonds16

About N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 146424640) has the molecular formula C50H43N11O2S2 and a molecular weight of 894.10 g/mol. Its IUPAC name is N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID146424640
Molecular FormulaC50H43N11O2S2
Molecular Weight894.10 g/mol
Exact Mass893.30
IUPAC NameN-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(-c2cccc(COCCNc3nc(-c4nccn4C)nc4sc(-c5ccncc5)c(-c5ccccc5)c34)n2)nc2sc(-c3ccncc3)c(-c3ccccc3)c12
InChIInChI=1S/C50H43N11O2S2/c1-31(29-62-3)55-46-41-39(33-13-8-5-9-14-33)43(35-19-23-52-24-20-35)65-50(41)59-44(57-46)37-16-10-15-36(56-37)30-63-28-26-53-45-40-38(32-11-6-4-7-12-32)42(34-17-21-51-22-18-34)64-49(40)60-47(58-45)48-54-25-27-61(48)2/h4-25,27,31H,26,28-30H2,1-3H3,(H,53,58,60)(H,55,57,59)
InChIKeyGVFFMXAGEXJYKU-UHFFFAOYSA-N
XLogP10.69
TPSA150.57 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.10
LogP ≤ 510.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 146424640) is N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is COCC(C)Nc1nc(-c2cccc(COCCNc3nc(-c4nccn4C)nc4sc(-c5ccncc5)c(-c5ccccc5)c34)n2)nc2sc(-c3ccncc3)c(-c3ccccc3)c12.
What is the InChIKey of N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GVFFMXAGEXJYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N11O2S2/c1-31(29-62-3)55-46-41-39(33-13-8-5-9-14-33)43(35-19-23-52-24-20-35)65-50(41)59-44(57-46)37-16-10-15-36(56-37)30-63-28-26-53-45-40-38(32-11-6-4-7-12-32)42(34-17-21-51-22-18-34)64-49(40)60-47(58-45)48-54-25-27-61(48)2/h4-25,27,31H,26,28-30H2,1-3H3,(H,53,58,60)(H,55,57,59).
What are the key properties of N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 894.10 g/mol, XLogP of 10.69, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[4-(1-methoxypropan-2-ylamino)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]methoxy]ethyl]-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146424640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).