N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide

C35H36FN7O3S — CID 58474651

IUPACN-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CCn6cncn6)CC5)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C35H36FN7O3S/c36-28-17-24(16-27(44)15-23-1-2-23)4-6-31(28)46-32-7-11-38-30-18-33(47-35(30)32)29-5-3-25(19-39-29)20-42-12-8-26(9-13-42)41-34(45)10-14-43-22-37-21-40-43/h3-7,11,17-19,21-23,26H,1-2,8-10,12-16,20H2,(H,41,45)
InChIKeyKMYTXGKAWMUKOO-UHFFFAOYSA-N
MW653.78 g/mol
LogP5.96
Rot. Bonds13

About N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 58474651) has the molecular formula C35H36FN7O3S and a molecular weight of 653.78 g/mol. Its IUPAC name is N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID58474651
Molecular FormulaC35H36FN7O3S
Molecular Weight653.78 g/mol
Exact Mass653.26
IUPAC NameN-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CCn6cncn6)CC5)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C35H36FN7O3S/c36-28-17-24(16-27(44)15-23-1-2-23)4-6-31(28)46-32-7-11-38-30-18-33(47-35(30)32)29-5-3-25(19-39-29)20-42-12-8-26(9-13-42)41-34(45)10-14-43-22-37-21-40-43/h3-7,11,17-19,21-23,26H,1-2,8-10,12-16,20H2,(H,41,45)
InChIKeyKMYTXGKAWMUKOO-UHFFFAOYSA-N
XLogP5.96
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide 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

3-(3-Fluoro-4-{[2-(pyrimidin-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901716
3-(3-fluoro-4-{[2-(1-methyl-1H-1,2,4-triazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901708
N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide
CID 11248778
2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)pyridin-2-yl]acetamide
CID 18456584
1-[[6-[7-[4-(3-Cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one
CID 58207633
(2S)-2-amino-N-[[2-[7-[4-[3-(2,4-difluorophenyl)-2-oxopropyl]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 58207642
1-[3-Fluoro-4-[2-[1-methyl-5-(propylaminomethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-methylphenyl)propan-2-one
CID 58207648
1-[4-[2-[5-[[[(2S)-butan-2-yl]amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylpropan-2-one
CID 58207650
1-Cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58207660
(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
1-[3-Fluoro-4-[2-[1-methyl-5-(propylaminomethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one
CID 58207687
tert-butyl N-[[2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-propylcarbamate
CID 58207699

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 58474651) is N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CCn6cncn6)CC5)cn4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KMYTXGKAWMUKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN7O3S/c36-28-17-24(16-27(44)15-23-1-2-23)4-6-31(28)46-32-7-11-38-30-18-33(47-35(30)32)29-5-3-25(19-39-29)20-42-12-8-26(9-13-42)41-34(45)10-14-43-22-37-21-40-43/h3-7,11,17-19,21-23,26H,1-2,8-10,12-16,20H2,(H,41,45).
What are the key properties of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 653.78 g/mol, XLogP of 5.96, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 58474651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).