N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C26H25ClF3N7O3 — CID 157041534

IUPACN-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4ccc(CN5CCOCC5)c(C(F)(F)F)c4)n(C)c3c2Cl)ccn1
InChIInChI=1S/C26H25ClF3N7O3/c1-15(38)33-21-12-18(5-6-31-21)40-20-13-32-24-23(22(20)27)36(2)25(35-24)34-17-4-3-16(19(11-17)26(28,29)30)14-37-7-9-39-10-8-37/h3-6,11-13H,7-10,14H2,1-2H3,(H,31,33,38)(H,32,34,35)
InChIKeyCWZUIFKKTFRRSP-UHFFFAOYSA-N
MW575.98 g/mol
LogP5.36
Rot. Bonds7

About N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157041534) has the molecular formula C26H25ClF3N7O3 and a molecular weight of 575.98 g/mol. Its IUPAC name is N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157041534
Molecular FormulaC26H25ClF3N7O3
Molecular Weight575.98 g/mol
Exact Mass575.17
IUPAC NameN-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4ccc(CN5CCOCC5)c(C(F)(F)F)c4)n(C)c3c2Cl)ccn1
InChIInChI=1S/C26H25ClF3N7O3/c1-15(38)33-21-12-18(5-6-31-21)40-20-13-32-24-23(22(20)27)36(2)25(35-24)34-17-4-3-16(19(11-17)26(28,29)30)14-37-7-9-39-10-8-37/h3-6,11-13H,7-10,14H2,1-2H3,(H,31,33,38)(H,32,34,35)
InChIKeyCWZUIFKKTFRRSP-UHFFFAOYSA-N
XLogP5.36
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.98
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157041534) is N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4ccc(CN5CCOCC5)c(C(F)(F)F)c4)n(C)c3c2Cl)ccn1.
What is the InChIKey of N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is CWZUIFKKTFRRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N7O3/c1-15(38)33-21-12-18(5-6-31-21)40-20-13-32-24-23(22(20)27)36(2)25(35-24)34-17-4-3-16(19(11-17)26(28,29)30)14-37-7-9-39-10-8-37/h3-6,11-13H,7-10,14H2,1-2H3,(H,31,33,38)(H,32,34,35).
What are the key properties of N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 575.98 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).