N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C32H31FN6O4S — CID 25055100

IUPACN-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCN(C)CC(=O)N1CCC(=CC1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)N5CCN(C5=O)C6=CC=CC=C6)F
InChIInChI=1S/C32H31FN6O4S/c1-36(2)20-29(40)37-14-11-21(12-15-37)28-19-25-30(44-28)27(10-13-34-25)43-26-9-8-22(18-24(26)33)35-31(41)39-17-16-38(32(39)42)23-6-4-3-5-7-23/h3-11,13,18-19H,12,14-17,20H2,1-2H3,(H,35,41)
InChIKeyWUIFHBKGQYAXMT-UHFFFAOYSA-N
MW614.70 g/mol
LogP3.70
Rot. Bonds7

About N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 25055100) has the molecular formula C32H31FN6O4S and a molecular weight of 614.70 g/mol. Its IUPAC name is N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID25055100
Molecular FormulaC32H31FN6O4S
Molecular Weight614.70 g/mol
Exact Mass614.21
IUPAC NameN-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCN(C)CC(=O)N1CCC(=CC1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)N5CCN(C5=O)C6=CC=CC=C6)F
InChIInChI=1S/C32H31FN6O4S/c1-36(2)20-29(40)37-14-11-21(12-15-37)28-19-25-30(44-28)27(10-13-34-25)43-26-9-8-22(18-24(26)33)35-31(41)39-17-16-38(32(39)42)23-6-4-3-5-7-23/h3-11,13,18-19H,12,14-17,20H2,1-2H3,(H,35,41)
InChIKeyWUIFHBKGQYAXMT-UHFFFAOYSA-N
XLogP3.70
TPSA127.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity1090

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 25055100) is N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is CN(C)CC(=O)N1CCC(=CC1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)N5CCN(C5=O)C6=CC=CC=C6)F.
What is the InChIKey of N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is WUIFHBKGQYAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O4S/c1-36(2)20-29(40)37-14-11-21(12-15-37)28-19-25-30(44-28)27(10-13-34-25)43-26-9-8-22(18-24(26)33)35-31(41)39-17-16-38(32(39)42)23-6-4-3-5-7-23/h3-11,13,18-19H,12,14-17,20H2,1-2H3,(H,35,41).
What are the key properties of N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 614.70 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 25055100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).