(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

C20H20ClN7O2 — CID 170332732

IUPAC(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
SMILESCC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C20H20ClN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-6-12-15(23-10-22-12)16(27)13-9-14-11(21)5-4-7-28(14)26-13/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyMKJVUESLXAGZQU-MRXNPFEDSA-N
MW425.88 g/mol
LogP3.18
Rot. Bonds2

About (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

(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 (PubChem CID 170332732) has the molecular formula C20H20ClN7O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170332732
Molecular FormulaC20H20ClN7O2
Molecular Weight425.88 g/mol
Exact Mass425.14
IUPAC Name(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
SMILESCC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C20H20ClN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-6-12-15(23-10-22-12)16(27)13-9-14-11(21)5-4-7-28(14)26-13/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyMKJVUESLXAGZQU-MRXNPFEDSA-N
XLogP3.18
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170333527
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332924
[4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170334155
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165865
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170334496
[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332036
[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193805
(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
(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
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 170332583
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170333525

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1.
What is the InChIKey of (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?
The InChIKey is MKJVUESLXAGZQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20ClN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-6-12-15(23-10-22-12)16(27)13-9-14-11(21)5-4-7-28(14)26-13/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 425.88 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170332732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).