N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide

C26H35N7O2S — CID 162691937

IUPACN-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2nccc(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C26H35N7O2S/c1-6-25(34)28-19-15-20(22(35-5)16-21(19)32(4)13-12-31(2)3)29-26-27-10-7-24(30-26)33-11-8-23-18(17-33)9-14-36-23/h7,9-10,14-16H,6,8,11-13,17H2,1-5H3,(H,28,34)(H,27,29,30)
InChIKeyFSQYARYZYAGHHD-UHFFFAOYSA-N
MW509.68 g/mol
LogP4.20
Rot. Bonds10

About N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide

N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide (PubChem CID 162691937) has the molecular formula C26H35N7O2S and a molecular weight of 509.68 g/mol. Its IUPAC name is N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide
PubChem CID162691937
Molecular FormulaC26H35N7O2S
Molecular Weight509.68 g/mol
Exact Mass509.26
IUPAC NameN-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2nccc(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C26H35N7O2S/c1-6-25(34)28-19-15-20(22(35-5)16-21(19)32(4)13-12-31(2)3)29-26-27-10-7-24(30-26)33-11-8-23-18(17-33)9-14-36-23/h7,9-10,14-16H,6,8,11-13,17H2,1-5H3,(H,28,34)(H,27,29,30)
InChIKeyFSQYARYZYAGHHD-UHFFFAOYSA-N
XLogP4.20
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide?
The IUPAC name of N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide (CID 162691937) is N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide is CCC(=O)Nc1cc(Nc2nccc(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide?
The InChIKey is FSQYARYZYAGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2S/c1-6-25(34)28-19-15-20(22(35-5)16-21(19)32(4)13-12-31(2)3)29-26-27-10-7-24(30-26)33-11-8-23-18(17-33)9-14-36-23/h7,9-10,14-16H,6,8,11-13,17H2,1-5H3,(H,28,34)(H,27,29,30).
What are the key properties of N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide?
N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide has a molecular weight of 509.68 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 162691937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).