(2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide

C33H37FN4O4S — CID 58207661

IUPAC(2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C33H37FN4O4S/c1-20(2)31(35)33(40)38(12-13-41-3)19-23-6-8-26(37-18-23)30-17-27-32(43-30)29(10-11-36-27)42-28-9-7-22(16-25(28)34)15-24(39)14-21-4-5-21/h6-11,16-18,20-21,31H,4-5,12-15,19,35H2,1-3H3/t31-/m1/s1
InChIKeyLALLWBHYGBFPNU-WJOKGBTCSA-N
MW604.75 g/mol
LogP6.16
Rot. Bonds14

About (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide

(2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide (PubChem CID 58207661) has the molecular formula C33H37FN4O4S and a molecular weight of 604.75 g/mol. Its IUPAC name is (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
PubChem CID58207661
Molecular FormulaC33H37FN4O4S
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name(2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C33H37FN4O4S/c1-20(2)31(35)33(40)38(12-13-41-3)19-23-6-8-26(37-18-23)30-17-27-32(43-30)29(10-11-36-27)42-28-9-7-22(16-25(28)34)15-24(39)14-21-4-5-21/h6-11,16-18,20-21,31H,4-5,12-15,19,35H2,1-3H3/t31-/m1/s1
InChIKeyLALLWBHYGBFPNU-WJOKGBTCSA-N
XLogP6.16
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

Sitravatinib
CID 25212148
Glesatinib
CID 25181472
7-(4-Fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155515940
7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
7-(4-Fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155564600
Ethyl 2-[4-[3-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propyl]piperazin-1-yl]acetate
CID 86290582
7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyridine-2-carboxamide
CID 86290931
US9822124, Example 45
CID 118644301
US9822124, Example 57
CID 118644368
2-[(6-Fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155514808
7-(4-Fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155523578
Tyrosine kinase-IN-6
CID 139511480

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide (CID 58207661) is (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide is COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide?
The InChIKey is LALLWBHYGBFPNU-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H37FN4O4S/c1-20(2)31(35)33(40)38(12-13-41-3)19-23-6-8-26(37-18-23)30-17-27-32(43-30)29(10-11-36-27)42-28-9-7-22(16-25(28)34)15-24(39)14-21-4-5-21/h6-11,16-18,20-21,31H,4-5,12-15,19,35H2,1-3H3/t31-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide?
(2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide has a molecular weight of 604.75 g/mol, XLogP of 6.16, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 58207661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).