N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide

C34H37FN6O5S — CID 11963183

IUPACN-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N(C)CCN(C)C)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O
InChIInChI=1S/C34H37FN6O5S/c1-21-29(33(44)41(23-10-8-7-9-11-23)40(21)20-34(2,3)45)31(42)37-22-12-13-26(24(35)18-22)46-27-14-15-36-25-19-28(47-30(25)27)32(43)39(6)17-16-38(4)5/h7-15,18-19,45H,16-17,20H2,1-6H3,(H,37,42)
InChIKeyZGPNIXQNOFUXIA-UHFFFAOYSA-N
MW660.77 g/mol
LogP5.15
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 11963183) has the molecular formula C34H37FN6O5S and a molecular weight of 660.77 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID11963183
Molecular FormulaC34H37FN6O5S
Molecular Weight660.77 g/mol
Exact Mass660.25
IUPAC NameN-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N(C)CCN(C)C)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O
InChIInChI=1S/C34H37FN6O5S/c1-21-29(33(44)41(23-10-8-7-9-11-23)40(21)20-34(2,3)45)31(42)37-22-12-13-26(24(35)18-22)46-27-14-15-36-25-19-28(47-30(25)27)32(43)39(6)17-16-38(4)5/h7-15,18-19,45H,16-17,20H2,1-6H3,(H,37,42)
InChIKeyZGPNIXQNOFUXIA-UHFFFAOYSA-N
XLogP5.15
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.77
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide (CID 11963183) is N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N(C)CCN(C)C)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZGPNIXQNOFUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN6O5S/c1-21-29(33(44)41(23-10-8-7-9-11-23)40(21)20-34(2,3)45)31(42)37-22-12-13-26(24(35)18-22)46-27-14-15-36-25-19-28(47-30(25)27)32(43)39(6)17-16-38(4)5/h7-15,18-19,45H,16-17,20H2,1-6H3,(H,37,42).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 660.77 g/mol, XLogP of 5.15, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]-N-methylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 11963183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).