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N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

C24H26FN5O3S — CID 22574310

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1c(CN(C)CC(O)c2ccn[nH]2)sc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c12
InChIInChI=1S/C24H26FN5O3S/c1-14-20(13-29(2)12-19(31)18-8-9-27-28-18)34-23-21(14)30(3)11-17(22(23)32)24(33)26-10-15-4-6-16(25)7-5-15/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,26,33)(H,27,28)
InChIKeyQTJSANFXFFHRHB-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.87
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 22574310) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID22574310
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1c(CN(C)CC(O)c2ccn[nH]2)sc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c12
InChIInChI=1S/C24H26FN5O3S/c1-14-20(13-29(2)12-19(31)18-8-9-27-28-18)34-23-21(14)30(3)11-17(22(23)32)24(33)26-10-15-4-6-16(25)7-5-15/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,26,33)(H,27,28)
InChIKeyQTJSANFXFFHRHB-UHFFFAOYSA-N
XLogP2.87
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide (CID 22574310) is N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide is Cc1c(CN(C)CC(O)c2ccn[nH]2)sc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is QTJSANFXFFHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-14-20(13-29(2)12-19(31)18-8-9-27-28-18)34-23-21(14)30(3)11-17(22(23)32)24(33)26-10-15-4-6-16(25)7-5-15/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,26,33)(H,27,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 22574310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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