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

C18H20F3N7O — CID 53484134

IUPAC4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1
InChIInChI=1S/C18H20F3N7O/c1-26-4-6-27(7-5-26)14-3-2-11(9-23-14)10-28-12-8-13(18(19,20)21)24-16(22)15(12)25-17(28)29/h2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H,25,29)
InChIKeyVUJWPECYEWDMSR-UHFFFAOYSA-N
MW407.40 g/mol
LogP1.52
Rot. Bonds3

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

4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 53484134) has the molecular formula C18H20F3N7O and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID53484134
Molecular FormulaC18H20F3N7O
Molecular Weight407.40 g/mol
Exact Mass407.17
IUPAC Name4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1
InChIInChI=1S/C18H20F3N7O/c1-26-4-6-27(7-5-26)14-3-2-11(9-23-14)10-28-12-8-13(18(19,20)21)24-16(22)15(12)25-17(28)29/h2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H,25,29)
InChIKeyVUJWPECYEWDMSR-UHFFFAOYSA-N
XLogP1.52
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 51.52
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-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 53484134) is 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is CN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1.
What is the InChIKey of 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is VUJWPECYEWDMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O/c1-26-4-6-27(7-5-26)14-3-2-11(9-23-14)10-28-12-8-13(18(19,20)21)24-16(22)15(12)25-17(28)29/h2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H,25,29).
What are the key properties of 4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 407.40 g/mol, XLogP of 1.52, 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-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 53484134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).