3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C32H42F3N7O2 — CID 139385686

IUPAC3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCCN(C1=C(C)C=CC2=C(c3ccnc(N(C)C)c3)N(Cc3c(OC)cc(C)[nH]c3=O)CN21)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C32H42F3N7O2/c1-7-41(24-11-14-39(15-12-24)19-32(33,34)35)31-21(2)8-9-26-29(23-10-13-36-28(17-23)38(4)5)40(20-42(26)31)18-25-27(44-6)16-22(3)37-30(25)43/h8-10,13,16-17,24H,7,11-12,14-15,18-20H2,1-6H3,(H,37,43)
InChIKeyAICKJPPCSXOJQR-UHFFFAOYSA-N
MW613.73 g/mol
LogP4.75
Rot. Bonds9

About 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 139385686) has the molecular formula C32H42F3N7O2 and a molecular weight of 613.73 g/mol. Its IUPAC name is 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID139385686
Molecular FormulaC32H42F3N7O2
Molecular Weight613.73 g/mol
Exact Mass613.34
IUPAC Name3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCCN(C1=C(C)C=CC2=C(c3ccnc(N(C)C)c3)N(Cc3c(OC)cc(C)[nH]c3=O)CN21)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C32H42F3N7O2/c1-7-41(24-11-14-39(15-12-24)19-32(33,34)35)31-21(2)8-9-26-29(23-10-13-36-28(17-23)38(4)5)40(20-42(26)31)18-25-27(44-6)16-22(3)37-30(25)43/h8-10,13,16-17,24H,7,11-12,14-15,18-20H2,1-6H3,(H,37,43)
InChIKeyAICKJPPCSXOJQR-UHFFFAOYSA-N
XLogP4.75
TPSA71.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.73
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 139385686) is 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one is CCN(C1=C(C)C=CC2=C(c3ccnc(N(C)C)c3)N(Cc3c(OC)cc(C)[nH]c3=O)CN21)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The InChIKey is AICKJPPCSXOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F3N7O2/c1-7-41(24-11-14-39(15-12-24)19-32(33,34)35)31-21(2)8-9-26-29(23-10-13-36-28(17-23)38(4)5)40(20-42(26)31)18-25-27(44-6)16-22(3)37-30(25)43/h8-10,13,16-17,24H,7,11-12,14-15,18-20H2,1-6H3,(H,37,43).
What are the key properties of 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 613.73 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methyl-3H-imidazo[1,5-a]pyridin-2-yl]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 139385686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).