2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide

C32H37FN6O4S — CID 67441029

IUPAC2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
SMILESCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C32H37FN6O4S/c1-32(2,3)29(34)30(40)39(13-14-42-4)18-19-5-9-23(36-17-19)27-16-24-28(44-27)26(11-12-35-24)43-25-10-8-21(15-22(25)33)38-31(41)37-20-6-7-20/h5,8-12,15-17,20,29H,6-7,13-14,18,34H2,1-4H3,(H2,37,38,41)
InChIKeyKLYDFJFCVIVKKC-UHFFFAOYSA-N
MW620.75 g/mol
LogP5.92
Rot. Bonds11

About 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide

2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide (PubChem CID 67441029) has the molecular formula C32H37FN6O4S and a molecular weight of 620.75 g/mol. Its IUPAC name is 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
PubChem CID67441029
Molecular FormulaC32H37FN6O4S
Molecular Weight620.75 g/mol
Exact Mass620.26
IUPAC Name2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
SMILESCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C32H37FN6O4S/c1-32(2,3)29(34)30(40)39(13-14-42-4)18-19-5-9-23(36-17-19)27-16-24-28(44-27)26(11-12-35-24)43-25-10-8-21(15-22(25)33)38-31(41)37-20-6-7-20/h5,8-12,15-17,20,29H,6-7,13-14,18,34H2,1-4H3,(H2,37,38,41)
InChIKeyKLYDFJFCVIVKKC-UHFFFAOYSA-N
XLogP5.92
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide 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

N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-(2-methoxyethyl)propanamide
CID 67444246
N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-2-methylbutanamide
CID 123739029
tert-butyl N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methylsulfonylethyl)carbamate
CID 67442547
1-cyclopropyl-3-[4-[2-[5-[[4-[3-(dimethylamino)propyl]anilino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea
CID 67442602
N-[[4-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide
CID 67443227
methyl N-[[6-[7-[4-[(3-carbamoylphenyl)carbamoylamino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 58236566
2-(2-methoxyethoxy)ethyl 4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 71542305
1-[4-[2-[5-[[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 77430024
1-[4-[2-[5-[(4-aminopiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 67443027
1-cyclopropyl-3-[4-[2-[5-[2,3-dimethyl-6-[methyl(propyl)amino]hexyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea
CID 123291174
1-[4-[2-[5-[(4-amino-2-methyl-3-oxocycloheptyl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 123638388
[2-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 67441803

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide (CID 67441029) is 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide is COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide?
The InChIKey is KLYDFJFCVIVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O4S/c1-32(2,3)29(34)30(40)39(13-14-42-4)18-19-5-9-23(36-17-19)27-16-24-28(44-27)26(11-12-35-24)43-25-10-8-21(15-22(25)33)38-31(41)37-20-6-7-20/h5,8-12,15-17,20,29H,6-7,13-14,18,34H2,1-4H3,(H2,37,38,41).
What are the key properties of 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide?
2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide has a molecular weight of 620.75 g/mol, XLogP of 5.92, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 67441029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).