1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

C33H35FN4O4S — CID 58474454

IUPAC1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(C(=O)NCCO)CC5)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C33H35FN4O4S/c34-26-17-22(16-25(40)15-21-1-2-21)4-6-29(26)42-30-7-10-35-28-18-31(43-32(28)30)27-5-3-23(19-37-27)20-38-12-8-24(9-13-38)33(41)36-11-14-39/h3-7,10,17-19,21,24,39H,1-2,8-9,11-16,20H2,(H,36,41)
InChIKeyNUBCJHNUNVXMHA-UHFFFAOYSA-N
MW602.73 g/mol
LogP5.52
Rot. Bonds12

About 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 58474454) has the molecular formula C33H35FN4O4S and a molecular weight of 602.73 g/mol. Its IUPAC name is 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID58474454
Molecular FormulaC33H35FN4O4S
Molecular Weight602.73 g/mol
Exact Mass602.24
IUPAC Name1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(C(=O)NCCO)CC5)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C33H35FN4O4S/c34-26-17-22(16-25(40)15-21-1-2-21)4-6-29(26)42-30-7-10-35-28-18-31(43-32(28)30)27-5-3-23(19-37-27)20-38-12-8-24(9-13-38)33(41)36-11-14-39/h3-7,10,17-19,21,24,39H,1-2,8-9,11-16,20H2,(H,36,41)
InChIKeyNUBCJHNUNVXMHA-UHFFFAOYSA-N
XLogP5.52
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 58474454) is 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(C(=O)NCCO)CC5)cn4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is NUBCJHNUNVXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O4S/c34-26-17-22(16-25(40)15-21-1-2-21)4-6-29(26)42-30-7-10-35-28-18-31(43-32(28)30)27-5-3-23(19-37-27)20-38-12-8-24(9-13-38)33(41)36-11-14-39/h3-7,10,17-19,21,24,39H,1-2,8-9,11-16,20H2,(H,36,41).
What are the key properties of 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 602.73 g/mol, XLogP of 5.52, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 58474454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).