N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide

C26H25N3O4S2 — CID 10436267

IUPACN-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5CCCC5CO)sc34)ccc2c1C(=O)NC1CC1
InChIInChI=1S/C26H25N3O4S2/c1-14-23(25(31)28-15-4-5-15)18-7-6-17(11-21(18)34-14)33-20-8-9-27-19-12-22(35-24(19)20)26(32)29-10-2-3-16(29)13-30/h6-9,11-12,15-16,30H,2-5,10,13H2,1H3,(H,28,31)
InChIKeyOUYIBIZVWMZHBK-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.10
Rot. Bonds6

About N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide

N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide (PubChem CID 10436267) has the molecular formula C26H25N3O4S2 and a molecular weight of 507.64 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
PubChem CID10436267
Molecular FormulaC26H25N3O4S2
Molecular Weight507.64 g/mol
Exact Mass507.13
IUPAC NameN-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5CCCC5CO)sc34)ccc2c1C(=O)NC1CC1
InChIInChI=1S/C26H25N3O4S2/c1-14-23(25(31)28-15-4-5-15)18-7-6-17(11-21(18)34-14)33-20-8-9-27-19-12-22(35-24(19)20)26(32)29-10-2-3-16(29)13-30/h6-9,11-12,15-16,30H,2-5,10,13H2,1H3,(H,28,31)
InChIKeyOUYIBIZVWMZHBK-UHFFFAOYSA-N
XLogP5.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(2-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)benzo[b]thiophene-3-carboxamide
CID 52947268
N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290368
N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290369
5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 11213773
2-[3-fluoro-4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456581
4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide
CID 20746003
4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746004
5-[2-(3-fluoro-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-hydroxyethyl)-2-methylindole-1-carboxamide
CID 20746034
5-[2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746048
[7-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-(2-methoxypyrrolidin-1-yl)methanone
CID 22603697
4-[[7-[4-[3-(2-Fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid
CID 58172952
3-[[7-[4-[3-(2-Fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
CID 58172953

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide (CID 10436267) is N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide is Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCCC5CO)sc34)ccc2c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is OUYIBIZVWMZHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S2/c1-14-23(25(31)28-15-4-5-15)18-7-6-17(11-21(18)34-14)33-20-8-9-27-19-12-22(35-24(19)20)26(32)29-10-2-3-16(29)13-30/h6-9,11-12,15-16,30H,2-5,10,13H2,1H3,(H,28,31).
What are the key properties of N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 10436267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).