N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C24H22F3N7O4 — CID 157041565

IUPACN-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(F)(F)F)cn(C)c3=O)n(C)c12
InChIInChI=1S/C24H22F3N7O4/c1-33-11-13(24(25,26)27)8-15(22(33)36)30-23-32-20-18(34(23)2)19(37-3)16(10-29-20)38-14-6-7-28-17(9-14)31-21(35)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,28,31,35)(H,29,30,32)
InChIKeyIFUHRFWDJJJNDC-UHFFFAOYSA-N
MW529.48 g/mol
LogP3.97
Rot. Bonds7

About N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157041565) has the molecular formula C24H22F3N7O4 and a molecular weight of 529.48 g/mol. Its IUPAC name is N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157041565
Molecular FormulaC24H22F3N7O4
Molecular Weight529.48 g/mol
Exact Mass529.17
IUPAC NameN-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(F)(F)F)cn(C)c3=O)n(C)c12
InChIInChI=1S/C24H22F3N7O4/c1-33-11-13(24(25,26)27)8-15(22(33)36)30-23-32-20-18(34(23)2)19(37-3)16(10-29-20)38-14-6-7-28-17(9-14)31-21(35)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,28,31,35)(H,29,30,32)
InChIKeyIFUHRFWDJJJNDC-UHFFFAOYSA-N
XLogP3.97
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 157041565) is N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(F)(F)F)cn(C)c3=O)n(C)c12.
What is the InChIKey of N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IFUHRFWDJJJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O4/c1-33-11-13(24(25,26)27)8-15(22(33)36)30-23-32-20-18(34(23)2)19(37-3)16(10-29-20)38-14-6-7-28-17(9-14)31-21(35)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,28,31,35)(H,29,30,32).
What are the key properties of N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 529.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-methoxy-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157041565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).