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

C21H26F3N7O2 — CID 153401706

IUPAC4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCCN2CCCC(CO)C2)nc1
InChIInChI=1S/C21H26F3N7O2/c22-21(23,24)16-8-15-18(19(25)28-16)29-20(33)31(15)11-13-3-4-17(27-9-13)26-5-7-30-6-1-2-14(10-30)12-32/h3-4,8-9,14,32H,1-2,5-7,10-12H2,(H2,25,28)(H,26,27)(H,29,33)
InChIKeyYVDVBJQHMPEKQL-UHFFFAOYSA-N
MW465.48 g/mol
LogP1.89
Rot. Bonds7

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

4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 153401706) has the molecular formula C21H26F3N7O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID153401706
Molecular FormulaC21H26F3N7O2
Molecular Weight465.48 g/mol
Exact Mass465.21
IUPAC Name4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCCN2CCCC(CO)C2)nc1
InChIInChI=1S/C21H26F3N7O2/c22-21(23,24)16-8-15-18(19(25)28-16)29-20(33)31(15)11-13-3-4-17(27-9-13)26-5-7-30-6-1-2-14(10-30)12-32/h3-4,8-9,14,32H,1-2,5-7,10-12H2,(H2,25,28)(H,26,27)(H,29,33)
InChIKeyYVDVBJQHMPEKQL-UHFFFAOYSA-N
XLogP1.89
TPSA125.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70689851
4-amino-1-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672555
6-amino-2-dimethylphosphoryl-9-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]methyl]-7H-purin-8-one
CID 170722603
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 143526295
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[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
CID 131919569
5-amino-1-benzyl-7-(trifluoromethyl)-4H-pyrido[3,4-b]pyrazine-2,3-dione
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4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 153401706) is 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCCN2CCCC(CO)C2)nc1.
What is the InChIKey of 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is YVDVBJQHMPEKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7O2/c22-21(23,24)16-8-15-18(19(25)28-16)29-20(33)31(15)11-13-3-4-17(27-9-13)26-5-7-30-6-1-2-14(10-30)12-32/h3-4,8-9,14,32H,1-2,5-7,10-12H2,(H2,25,28)(H,26,27)(H,29,33).
What are the key properties of 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 465.48 g/mol, XLogP of 1.89, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 153401706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).