N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide

C23H17ClF3N5O2 — CID 166107276

IUPACN-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nc2cccnc2n1-c1ccc(Cl)cn1)c1cc(OC(F)(F)F)cc(C2CC2)c1
InChIInChI=1S/C23H17ClF3N5O2/c24-16-5-6-19(29-11-16)32-20(31-18-2-1-7-28-21(18)32)12-30-22(33)15-8-14(13-3-4-13)9-17(10-15)34-23(25,26)27/h1-2,5-11,13H,3-4,12H2,(H,30,33)
InChIKeyVFQUJYHILVYZJD-UHFFFAOYSA-N
MW487.87 g/mol
LogP5.17
Rot. Bonds6

About N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide

N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide (PubChem CID 166107276) has the molecular formula C23H17ClF3N5O2 and a molecular weight of 487.87 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide
PubChem CID166107276
Molecular FormulaC23H17ClF3N5O2
Molecular Weight487.87 g/mol
Exact Mass487.10
IUPAC NameN-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nc2cccnc2n1-c1ccc(Cl)cn1)c1cc(OC(F)(F)F)cc(C2CC2)c1
InChIInChI=1S/C23H17ClF3N5O2/c24-16-5-6-19(29-11-16)32-20(31-18-2-1-7-28-21(18)32)12-30-22(33)15-8-14(13-3-4-13)9-17(10-15)34-23(25,26)27/h1-2,5-11,13H,3-4,12H2,(H,30,33)
InChIKeyVFQUJYHILVYZJD-UHFFFAOYSA-N
XLogP5.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide (CID 166107276) is N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide is O=C(NCc1nc2cccnc2n1-c1ccc(Cl)cn1)c1cc(OC(F)(F)F)cc(C2CC2)c1.
What is the InChIKey of N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide?
The InChIKey is VFQUJYHILVYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2/c24-16-5-6-19(29-11-16)32-20(31-18-2-1-7-28-21(18)32)12-30-22(33)15-8-14(13-3-4-13)9-17(10-15)34-23(25,26)27/h1-2,5-11,13H,3-4,12H2,(H,30,33).
What are the key properties of N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide?
N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide has a molecular weight of 487.87 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 166107276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).