N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C25H27N7O2S — CID 137429784

IUPACN-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCN(C)CC4)c23)cn1
InChIInChI=1S/C25H27N7O2S/c1-31-11-13-32(14-12-31)23-21-18(24(33)27-10-8-17-6-7-20(34-2)28-15-17)16-35-25(21)30-22(29-23)19-5-3-4-9-26-19/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,33)
InChIKeyMAXUBPFMNOIAGH-UHFFFAOYSA-N
MW489.61 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429784) has the molecular formula C25H27N7O2S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429784
Molecular FormulaC25H27N7O2S
Molecular Weight489.61 g/mol
Exact Mass489.19
IUPAC NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCN(C)CC4)c23)cn1
InChIInChI=1S/C25H27N7O2S/c1-31-11-13-32(14-12-31)23-21-18(24(33)27-10-8-17-6-7-20(34-2)28-15-17)16-35-25(21)30-22(29-23)19-5-3-4-9-26-19/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,33)
InChIKeyMAXUBPFMNOIAGH-UHFFFAOYSA-N
XLogP2.88
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide 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-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429784) is N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCN(C)CC4)c23)cn1.
What is the InChIKey of N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MAXUBPFMNOIAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S/c1-31-11-13-32(14-12-31)23-21-18(24(33)27-10-8-17-6-7-20(34-2)28-15-17)16-35-25(21)30-22(29-23)19-5-3-4-9-26-19/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,33).
What are the key properties of N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).