N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide

C24H24N6O4S — CID 167449299

IUPACN-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
SMILESCOCCn1cc(C2CC2)cc(Nc2nc3cnc(Oc4ccnc(NC(C)=O)c4)cc3s2)c1=O
InChIInChI=1S/C24H24N6O4S/c1-14(31)27-21-10-17(5-6-25-21)34-22-11-20-19(12-26-22)29-24(35-20)28-18-9-16(15-3-4-15)13-30(23(18)32)7-8-33-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,28,29)(H,25,27,31)
InChIKeyAUHVJHQQYVJXLT-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.27
Rot. Bonds9

About N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide

N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 167449299) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
PubChem CID167449299
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC NameN-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
SMILESCOCCn1cc(C2CC2)cc(Nc2nc3cnc(Oc4ccnc(NC(C)=O)c4)cc3s2)c1=O
InChIInChI=1S/C24H24N6O4S/c1-14(31)27-21-10-17(5-6-25-21)34-22-11-20-19(12-26-22)29-24(35-20)28-18-9-16(15-3-4-15)13-30(23(18)32)7-8-33-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,28,29)(H,25,27,31)
InChIKeyAUHVJHQQYVJXLT-UHFFFAOYSA-N
XLogP4.27
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide (CID 167449299) is N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide is COCCn1cc(C2CC2)cc(Nc2nc3cnc(Oc4ccnc(NC(C)=O)c4)cc3s2)c1=O.
What is the InChIKey of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is AUHVJHQQYVJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-14(31)27-21-10-17(5-6-25-21)34-22-11-20-19(12-26-22)29-24(35-20)28-18-9-16(15-3-4-15)13-30(23(18)32)7-8-33-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,28,29)(H,25,27,31).
What are the key properties of N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 492.56 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[[5-cyclopropyl-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 167449299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).