(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C24H25N5O3 — CID 169164291

IUPAC(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2oc3ccccc3c2C2CC2)o1
InChIInChI=1S/C24H25N5O3/c1-24(2,3)23-28-27-21(32-23)22(30)29-11-10-15-18(26-12-25-15)19(29)20-17(13-8-9-13)14-6-4-5-7-16(14)31-20/h4-7,12-13,19H,8-11H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyYCDOIAILCHDLGD-LJQANCHMSA-N
MW431.50 g/mol
LogP4.50
Rot. Bonds3

About (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169164291) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169164291
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2oc3ccccc3c2C2CC2)o1
InChIInChI=1S/C24H25N5O3/c1-24(2,3)23-28-27-21(32-23)22(30)29-11-10-15-18(26-12-25-15)19(29)20-17(13-8-9-13)14-6-4-5-7-16(14)31-20/h4-7,12-13,19H,8-11H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyYCDOIAILCHDLGD-LJQANCHMSA-N
XLogP4.50
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164362
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164442
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164097
[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169164368
[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169163934
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166263
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332732
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332739
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332828
(E)-1-[4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-difluoro-2-(3-hydroxybut-1-en-2-yloxy)-3-methylbut-2-en-1-one;ethane
CID 169163663
[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332518
[(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169163762

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169164291) is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2oc3ccccc3c2C2CC2)o1.
What is the InChIKey of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is YCDOIAILCHDLGD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,3)23-28-27-21(32-23)22(30)29-11-10-15-18(26-12-25-15)19(29)20-17(13-8-9-13)14-6-4-5-7-16(14)31-20/h4-7,12-13,19H,8-11H2,1-3H3,(H,25,26)/t19-/m1/s1.
What are the key properties of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169164291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).