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

C21H26F3N7O — CID 56665644

IUPAC4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN(CCN1CCCCC1)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C21H26F3N7O/c1-29(9-10-30-7-3-2-4-8-30)17-6-5-14(12-26-17)13-31-15-11-16(21(22,23)24)27-19(25)18(15)28-20(31)32/h5-6,11-12H,2-4,7-10,13H2,1H3,(H2,25,27)(H,28,32)
InChIKeyFBIKDAGCINCIRM-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.69
Rot. Bonds6

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

4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56665644) has the molecular formula C21H26F3N7O and a molecular weight of 449.48 g/mol. Its IUPAC name is 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56665644
Molecular FormulaC21H26F3N7O
Molecular Weight449.48 g/mol
Exact Mass449.22
IUPAC Name4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN(CCN1CCCCC1)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1
InChIInChI=1S/C21H26F3N7O/c1-29(9-10-30-7-3-2-4-8-30)17-6-5-14(12-26-17)13-31-15-11-16(21(22,23)24)27-19(25)18(15)28-20(31)32/h5-6,11-12H,2-4,7-10,13H2,1H3,(H2,25,27)(H,28,32)
InChIKeyFBIKDAGCINCIRM-UHFFFAOYSA-N
XLogP2.69
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.69
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-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56665644) is 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is CN(CCN1CCCCC1)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1.
What is the InChIKey of 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is FBIKDAGCINCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7O/c1-29(9-10-30-7-3-2-4-8-30)17-6-5-14(12-26-17)13-31-15-11-16(21(22,23)24)27-19(25)18(15)28-20(31)32/h5-6,11-12H,2-4,7-10,13H2,1H3,(H2,25,27)(H,28,32).
What are the key properties of 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 449.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-[methyl(2-piperidin-1-ylethyl)amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56665644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).