2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole

C18H19N9S — CID 87223323

IUPAC2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
SMILES[2H]C([2H])([2H])C([2H])([2H])[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3nccs3)nc2N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C18H19N9S/c1-4-12-15-24-22-10-26(15)13-9-21-18(23-14(13)27(12)11(2)3)25-7-5-19-16(25)17-20-6-8-28-17/h5-12H,4H2,1-3H3/t12-/m1/s1/i1D3,2D3,3D3,4D2,11D
InChIKeyLCUQGIWMFPXRTN-SCERIKNASA-N
MW405.55 g/mol
LogP3.05
Rot. Bonds7

About 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole

2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole (PubChem CID 87223323) has the molecular formula C18H19N9S and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
PubChem CID87223323
Molecular FormulaC18H19N9S
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
SMILES[2H]C([2H])([2H])C([2H])([2H])[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3nccs3)nc2N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C18H19N9S/c1-4-12-15-24-22-10-26(15)13-9-21-18(23-14(13)27(12)11(2)3)25-7-5-19-16(25)17-20-6-8-28-17/h5-12H,4H2,1-3H3/t12-/m1/s1/i1D3,2D3,3D3,4D2,11D
InChIKeyLCUQGIWMFPXRTN-SCERIKNASA-N
XLogP3.05
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[1-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-2-yl]-1,3-thiazole
CID 66979817
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87913804
(4R)-7-[2-(3-fluorophenyl)imidazol-1-yl]-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423224
4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
CID 66979577
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498562
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979445
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;2-(1H-imidazol-2-yl)-1,3-thiazole
CID 159988373
2-[4-[(4R)-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1-methylpyrazol-5-yl]-1,3-thiazole
CID 66979666
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole (CID 87223323) is 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole is [2H]C([2H])([2H])C([2H])([2H])[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3nccs3)nc2N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is LCUQGIWMFPXRTN-SCERIKNASA-N. The full InChI is InChI=1S/C18H19N9S/c1-4-12-15-24-22-10-26(15)13-9-21-18(23-14(13)27(12)11(2)3)25-7-5-19-16(25)17-20-6-8-28-17/h5-12H,4H2,1-3H3/t12-/m1/s1/i1D3,2D3,3D3,4D2,11D.
What are the key properties of 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 405.55 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 87223323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).