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

C26H25N3O4S2 — CID 10391517

IUPACN-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCOC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)c(C)sc5c4)c3s2)C1
InChIInChI=1S/C26H25N3O4S2/c1-14-23(25(30)28-15-3-4-15)18-6-5-16(11-21(18)34-14)33-20-7-9-27-19-12-22(35-24(19)20)26(31)29-10-8-17(13-29)32-2/h5-7,9,11-12,15,17H,3-4,8,10,13H2,1-2H3,(H,28,30)
InChIKeyPILVEEJEVQOAJS-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.36
Rot. Bonds6

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

N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide (PubChem CID 10391517) has the molecular formula C26H25N3O4S2 and a molecular weight of 507.64 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
PubChem CID10391517
Molecular FormulaC26H25N3O4S2
Molecular Weight507.64 g/mol
Exact Mass507.13
IUPAC NameN-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCOC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)c(C)sc5c4)c3s2)C1
InChIInChI=1S/C26H25N3O4S2/c1-14-23(25(30)28-15-3-4-15)18-6-5-16(11-21(18)34-14)33-20-7-9-27-19-12-22(35-24(19)20)26(31)29-10-8-17(13-29)32-2/h5-7,9,11-12,15,17H,3-4,8,10,13H2,1-2H3,(H,28,30)
InChIKeyPILVEEJEVQOAJS-UHFFFAOYSA-N
XLogP5.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide (CID 10391517) is N-cyclopropyl-6-[2-(3-methoxypyrrolidine-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-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide is COC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC6CC6)c(C)sc5c4)c3s2)C1.
What is the InChIKey of N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is PILVEEJEVQOAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S2/c1-14-23(25(30)28-15-3-4-15)18-6-5-16(11-21(18)34-14)33-20-7-9-27-19-12-22(35-24(19)20)26(31)29-10-8-17(13-29)32-2/h5-7,9,11-12,15,17H,3-4,8,10,13H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide?
N-cyclopropyl-6-[2-(3-methoxypyrrolidine-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 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 10391517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).