3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol

C20H16F3N5O — CID 71447959

IUPAC3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol
SMILESCNc1nc2cnc(Nc3cccc(O)c3)cc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N5O/c1-24-19-27-16-11-25-18(26-13-5-3-7-15(29)9-13)10-17(16)28(19)14-6-2-4-12(8-14)20(21,22)23/h2-11,29H,1H3,(H,24,27)(H,25,26)
InChIKeyOTVPKDFNDYHJJX-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.93
Rot. Bonds4

About 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol

3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol (PubChem CID 71447959) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol
PubChem CID71447959
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol
SMILESCNc1nc2cnc(Nc3cccc(O)c3)cc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N5O/c1-24-19-27-16-11-25-18(26-13-5-3-7-15(29)9-13)10-17(16)28(19)14-6-2-4-12(8-14)20(21,22)23/h2-11,29H,1H3,(H,24,27)(H,25,26)
InChIKeyOTVPKDFNDYHJJX-UHFFFAOYSA-N
XLogP4.93
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol?
The IUPAC name of 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol (CID 71447959) is 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol.
What is the SMILES notation for 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol?
The canonical SMILES for 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol is CNc1nc2cnc(Nc3cccc(O)c3)cc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol?
The InChIKey is OTVPKDFNDYHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-24-19-27-16-11-25-18(26-13-5-3-7-15(29)9-13)10-17(16)28(19)14-6-2-4-12(8-14)20(21,22)23/h2-11,29H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol?
3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol has a molecular weight of 399.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]amino]phenol is sourced from PubChem (CID 71447959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).