2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine

C22H20F3N7O — CID 155553335

IUPAC2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
SMILESFC(F)(F)c1cccc(Nc2cc3nc(Nc4ccc(N5CCOCC5)cn4)[nH]c3cn2)c1
InChIInChI=1S/C22H20F3N7O/c23-22(24,25)14-2-1-3-15(10-14)28-20-11-17-18(13-27-20)30-21(29-17)31-19-5-4-16(12-26-19)32-6-8-33-9-7-32/h1-5,10-13H,6-9H2,(H,27,28)(H2,26,29,30,31)
InChIKeyYXBSLSDWHOVTAZ-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.70
Rot. Bonds5

About 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine

2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155553335) has the molecular formula C22H20F3N7O and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
PubChem CID155553335
Molecular FormulaC22H20F3N7O
Molecular Weight455.44 g/mol
Exact Mass455.17
IUPAC Name2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
SMILESFC(F)(F)c1cccc(Nc2cc3nc(Nc4ccc(N5CCOCC5)cn4)[nH]c3cn2)c1
InChIInChI=1S/C22H20F3N7O/c23-22(24,25)14-2-1-3-15(10-14)28-20-11-17-18(13-27-20)30-21(29-17)31-19-5-4-16(12-26-19)32-6-8-33-9-7-32/h1-5,10-13H,6-9H2,(H,27,28)(H2,26,29,30,31)
InChIKeyYXBSLSDWHOVTAZ-UHFFFAOYSA-N
XLogP4.70
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (CID 155553335) is 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine is FC(F)(F)c1cccc(Nc2cc3nc(Nc4ccc(N5CCOCC5)cn4)[nH]c3cn2)c1.
What is the InChIKey of 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is YXBSLSDWHOVTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O/c23-22(24,25)14-2-1-3-15(10-14)28-20-11-17-18(13-27-20)30-21(29-17)31-19-5-4-16(12-26-19)32-6-8-33-9-7-32/h1-5,10-13H,6-9H2,(H,27,28)(H2,26,29,30,31).
What are the key properties of 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 455.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 155553335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).