4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C17H17F3N6O2 — CID 56682558

IUPAC4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17F3N6O2/c18-17(19,20)12-7-11-14(15(21)23-12)24-16(27)26(11)9-10-1-2-13(22-8-10)25-3-5-28-6-4-25/h1-2,7-8H,3-6,9H2,(H2,21,23)(H,24,27)
InChIKeyMSURJHUBIRTHRQ-UHFFFAOYSA-N
MW394.36 g/mol
LogP1.61
Rot. Bonds3

About 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56682558) has the molecular formula C17H17F3N6O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56682558
Molecular FormulaC17H17F3N6O2
Molecular Weight394.36 g/mol
Exact Mass394.14
IUPAC Name4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17F3N6O2/c18-17(19,20)12-7-11-14(15(21)23-12)24-16(27)26(11)9-10-1-2-13(22-8-10)25-3-5-28-6-4-25/h1-2,7-8H,3-6,9H2,(H2,21,23)(H,24,27)
InChIKeyMSURJHUBIRTHRQ-UHFFFAOYSA-N
XLogP1.61
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56682558) is 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is MSURJHUBIRTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O2/c18-17(19,20)12-7-11-14(15(21)23-12)24-16(27)26(11)9-10-1-2-13(22-8-10)25-3-5-28-6-4-25/h1-2,7-8H,3-6,9H2,(H2,21,23)(H,24,27).
What are the key properties of 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 394.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56682558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).